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

Formula:C14H16N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[(3-carbamoyl-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-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
MolecularFormula	C14H16N2O4S
Smiles	NC(c1c(NC(/C=C/C(O)=O)=O)sc2c1CCCCC2)=O
InChI	InChI=1S/C14H16N2O4S/c15-13(20)12-8-4-2-1-3-5-9(8)21-14(12)16-10(17)6-7-11(18)19/h6-7H,1-5H2,(H2,15,20)(H,16,17)(H,18,19)
InChIK	KHNRLCLSYMLTJQ-UHFFFAOYSA-N
TotalMolweight	308.357
Molweight	308.357
MonoisotopicMass	308.083078
CLogP	1.3859
CLogS	-3.356
H Acceptors	6
H Donors	3
TotalSurfaceArea	230.58
Relative PSA	0.4307
PolarSurfaceArea	137.73
Druglikeness	-0.9942
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	6
Amides	2
AcidicOxygens	1
StereoCon

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

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