(E)-4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid

Formula:C14H14N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
MolecularFormula	C14H14N2O3S
Smiles	N#Cc1c(NC(/C=C/C(O)=O)=O)sc2c1CCCCC2
InChI	InChI=1S/C14H14N2O3S/c15-8-10-9-4-2-1-3-5-11(9)20-14(10)16-12(17)6-7-13(18)19/h6-7H,1-5H2,(H,16,17)(H,18,19)
InChIK	QRNSSXVUTDETOC-UHFFFAOYSA-N
TotalMolweight	290.342
Molweight	290.342
MonoisotopicMass	290.072513
CLogP	2.1342
CLogS	-4.04
H Acceptors	5
H Donors	2
TotalSurfaceArea	226.02
Relative PSA	0.37413
PolarSurfaceArea	118.43
Druglikeness	-6.4147
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	6
Amides	1
AcidicOxygens	1
StereoCon

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1 - (E)-4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid | 2 - (E)-4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid

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