ATB | Existing Molecules

Selected Molecules (101-200 of 5,193)

Molid	Formula	Iupac	Common Name	Chembl Id	Clinical Phase	Atoms	Charge	Curation	Visibility
1568924	C₇H₁₆	HEPTANE	Heptane	134658		23	0	ATB	Public
1566277	C₂H₆O	ethanol	Ethanol	545		9	0	ATB	Public
1565525	C₆H₁₆N	triethylazanium	triethylammonium			23	1	ATB	Public
1543286	C₂H₃N	Acetonitrile	Acetonitrile	45211		6	0	ATB	Public
1536123	C₆H₁₄	Hexane	Hexane	15939		20	0	ATB	Public
1423795	C₁₂H₃Cl₇	1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene ...	2,3,3',4,4',5,5'-PCB			22	0	ATB	Public
1423636	C₂H₃N	Acetonitrile	Acetonitrile	45211		6	0	ATB	Public
1417246	C₁₂H₃Cl₇	1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene ...	2,3,3',4,4',5,5'-PCB			22	0	ATB	Public
1414700	C₄H₆	Buta-1,3-diene	butadiene	537970		10	0	ATB	Public
1414699	C₄H₆	Buta-1,3-diene	butadiene	537970		10	0	ATB	Public
1407210	C₁₀H₈	NAPHTHALENE	Naphthalene	16293		18	0	ATB	Public
1407208	C₁₆H₁₀	PYRENE	Pyrene	279564		26	0	ATB	Public
1406847	C₂₀H₂₃N	-	Amitriptyline	629		44	0	ATB	Public
1406737	C₁₀H₁₉O₆PS₂	-	Diethyl(2S)-2-[(dimethoxyphosphorothioyl)sulfanyl]succinate ...		3	38	0	ATB	Public
1406015	C₁₂H₄Cl₆	1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene ...	2,3,3',4,4',5-PCB	136496		22	0	ATB	Public
1404720	C₁₂H₄Cl₆	1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene ...	2,3,3',4,4',5-PCB	136496		22	0	ATB	Public
1403675	C₅H₁₀O₂	3-Methylbutanoic acid ...	3-Methylbutanoicacid	568737		17	0	ATB	Public
1400143	C₂H₄O₂	acetic acid	Aceticacid	539		8	0	ATB	Public
1399756	C₁₂H₄Cl₆	1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene ...	2,3,3',4,4',5-PCB	136496		22	0	ATB	Public
1399131	HO	oxidane	HYDROXY	1098659		2	-1	ATB	Public
1399109	C₁₁H₁₁N₅O₆S₂	3-[(4-methoxy-6-meth ...	-			35	0	ATB	Public
1399106	C₁₀H₁₉N₅S	6-methylsulfanyl-N,N ...	-			35	0	ATB	Public
1399076	C₁₂H₃Cl₇	1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene ...	2,3,3',4,4',5,5'-PCB			22	0	ATB	Public
1399071	C₁₂H₄Cl₆	1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene ...	2,3,3',4,4',5-PCB	136496		22	0	ATB	Public
1399064	C₁₂H₃Cl₇	1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene ...	2,3,3',4,4',5,5'-PCB			22	0	ATB	Public
1399060	C₁₂H₄Cl₆	1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene ...	2,3,3',4,4',5-PCB	136496		22	0	ATB	Public
1399040	C₁₂H₄Cl₆	1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene ...	2,3,3',4,4',5-PCB	136496		22	0	ATB	Public
1399037	C₁₂H₃Cl₇	1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene ...	2,3,3',4,4',5,5'-PCB			22	0	ATB	Public
1399028	C₁₂H₄Cl₆	1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene ...	2,3,3',4,4',5-PCB	136496		22	0	ATB	Public
1399024	C₁₂H₃Cl₇	1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene ...	2,3,3',4,4',5,5'-PCB			22	0	ATB	Public
1399021	CH₄N₂O	UREA	Urea	985		8	0	ATB	Public
1398718	C₂₀H₂₃N	-	Amitriptyline	629		44	0	ATB	Public
1398442	C₂₀H₂₃N	-	Amitriptyline	629		44	0	ATB	Public
1398350	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
1398346	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
1398150	C₂₀H₂₃N	-	Amitriptyline	629		44	0	ATB	Public
1397824	C₂₀H₂₃N	-	Amitriptyline	629		44	0	ATB	Public
1397635	C₂₀H₂₃N	-	Amitriptyline	629		44	0	ATB	Public
1397581	C₂₀H₂₃N	-	Amitriptyline	629		44	0	ATB	Public
1397521	C₂₀H₂₃N	-	Amitriptyline	629		44	0	ATB	Public
1397471	C₂₀H₂₃N	-	Amitriptyline	629		44	0	ATB	Public
1397404	C₁₃H₁₈O₂	(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid ...	(S)-(+)-Ibuprofen	175		33	0	ATB	Public
1392788	C₆H₆O	PHENOL	Phenol	14060	1	13	0	ATB	Public
1392787	C₆H₆O	PHENOL	Phenol	14060	1	13	0	ATB	Public
1389759	CHO₂	formic acid	Formyloxidanyl	116736		4	-1	ATB	Public
1387331	CH₂Cl₂	Dichloromethane	methylenechloride	45967		5	0	ATB	Public
1386200	CHO₂	formic acid	Formyloxidanyl	116736		4	-1	ATB	Public
1385557	C₆H₁₅O₄P	triethoxy-hydroxyphosphanium Triethyl phosphate ...	Triethylphosphate	1236251		26	0	ATB	Public
1385431	C₃H₇NO	Propanamide	Propionamide	1235716		12	0	ATB	Public
1385317	C₃H₂F₆O	1,1,1,3,3,3-HEXAFLUOROPROPAN-2-OL ...	Hexafluoroisopropanol ...	1231750		12	0	ATB	Public
1385210	C₄H₁₁N₃	-	-			18	0	ATB	Public
1385065	C₄H₁₁N₃	-	-			18	0	ATB	Public
1384749	C₁₂H₂₆	Dodecane	Dodecane	30959		38	0	ATB	Public
1297901	C₉H₉Cl₂NO	N-(3,4-Dichlorophenyl)propanamide ...	Propanil	1222498		22	0	ATB	Public
1296776	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1284397	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1283367	C₉H₉Cl₂NO	N-(3,4-Dichlorophenyl)propanamide ...	Propanil	1222498		22	0	ATB	Public
1283357	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1283125	C₉H₉Cl₂NO	N-(3,4-Dichlorophenyl)propanamide ...	Propanil	1222498		22	0	ATB	Public
1283071	C₄H₁₀O₂	2-Ethoxyethanol	2-Ethoxyethanol	119596		16	0	ATB	Public
1283029	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1282998	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
1282439	C₉H₉Cl₂NO	N-(3,4-Dichlorophenyl)propanamide ...	Propanil	1222498		22	0	ATB	Public
1282414	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1282047	C₉H₉Cl₂NO	N-(3,4-Dichlorophenyl)propanamide ...	Propanil	1222498		22	0	ATB	Public
1281890	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1281838	C₉H₉Cl₂NO	N-(3,4-Dichlorophenyl)propanamide ...	Propanil	1222498		22	0	ATB	Public
1281812	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1281729	C₉H₉Cl₂NO	N-(3,4-Dichlorophenyl)propanamide ...	Propanil	1222498		22	0	ATB	Public
1281560	H₂O	oxidane	Water	1098659		3	0	ATB	Public
1281050	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1280967	C₅H₁₀	Cyclopentane	Cyclopentane	1370850		15	0	ATB	Public
1280416	C₉H₉Cl₂NO	N-(3,4-Dichlorophenyl)propanamide ...	Propanil	1222498		22	0	ATB	Public
1280390	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1279815	C₉H₉Cl₂NO	N-(3,4-Dichlorophenyl)propanamide ...	Propanil	1222498		22	0	ATB	Public
1279806	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1279777	C₉H₉Cl₂NO	N-(3,4-Dichlorophenyl)propanamide ...	Propanil	1222498		22	0	ATB	Public
1279763	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1279505	C₁₄H₁₀F₃NO₂	2-[[3-(Trifluoromethyl)phenyl]amino]benzoic acid ...	FlufenamicAcid	23588		30	0	ATB	Public
1278963	C₂H₆O₂	Ethane-1,2-diol	Ethyleneglycol	457299		10	0	ATB	Public
1277905	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
1277307	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
1277303	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
1277192	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
1275687	HO	oxidane	HYDROXY	1098659		2	-1	ATB	Public
1275686	HO	oxidane	HYDROXY	1098659		2	-1	ATB	Public
1274386	CH₂O	FORMALDEHYDE	Formaldehyde	1255		4	0	ATB	Public
1274384	NO₂	-	Nitrogendioxide			3	-1	ATB	Public
1273543	C₄H₁₁N	butan-1-amine	n-butylamine	13968		16	0	ATB	Public
1273438	C₂H₅NO	ACETAMIDE	Acetamide	16081	2	9	0	ATB	Public
1273387	C₄H₁₁N	butan-1-amine	n-butylamine	13968		16	0	ATB	Public
1273116	C₄H₁₀O₂	1,2-Dimethoxyethane	dimethoxyethane	1232411		16	0	ATB	Public
1272703	C₆H₇N	Aniline	phenylamine	538		14	0	ATB	Public
1270387	C₂H₄O₂	acetic acid	Aceticacid	539		8	0	ATB	Public
1269494	C₂H₄O₂	acetic acid	Aceticacid	539		8	0	ATB	Public
1268852	C₅H₁₀O₂	3-Methylbutanoic acid ...	3-Methylbutanoicacid	568737		17	0	ATB	Public
1268514	C₅H₁₀O₂	3-Methylbutanoic acid ...	3-Methylbutanoicacid	568737		17	0	ATB	Public
1268197	C₁₀H₁₄O₂	2-Methoxy-4-propylphenol ...	4-propylguaiacol	3186884		26	0	ATB	Public
1268186	C₆H₇N	Aniline	phenylamine	538		14	0	ATB	Public
1268154	C₁₀H₁₄O₂	2-Methoxy-4-propylphenol ...	4-propylguaiacol	3186884		26	0	ATB	Public