(Z)-4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid

Formula:C15H16N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(Z)-4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
MolecularFormula	C15H16N2O3S
Smiles	N#Cc1c(NC(/C=C\C(O)=O)=O)sc2c1CCCCCC2
InChI	InChI=1S/C15H16N2O3S/c16-9-11-10-5-3-1-2-4-6-12(10)21-15(11)17-13(18)7-8-14(19)20/h7-8H,1-6H2,(H,17,18)(H,19,20)
InChIK	QVCOOENEXPULTC-UHFFFAOYSA-N
TotalMolweight	304.369
Molweight	304.369
MonoisotopicMass	304.088163
CLogP	2.9948
CLogS	-4.31
H Acceptors	5
H Donors	2
TotalSurfaceArea	239.78
Relative PSA	0.35266
PolarSurfaceArea	118.43
Druglikeness	-6.4147
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	7
Amides	1
AcidicOxygens	1
StereoCon

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1 - (Z)-4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid | 2 - (Z)-4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid

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