(E)-4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid

Formula:C12H10N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
MolecularFormula	C12H10N2O3S
Smiles	N#Cc1c(NC(/C=C/C(O)=O)=O)sc2c1CCC2
InChI	InChI=1S/C12H10N2O3S/c13-6-8-7-2-1-3-9(7)18-12(8)14-10(15)4-5-11(16)17/h4-5H,1-3H2,(H,14,15)(H,16,17)
InChIK	PIAPFXCCTUKVIL-UHFFFAOYSA-N
TotalMolweight	262.288
Molweight	262.288
MonoisotopicMass	262.041213
CLogP	1.4502
CLogS	-3.5
H Acceptors	5
H Donors	2
TotalSurfaceArea	198.5
Relative PSA	0.42599
PolarSurfaceArea	118.43
Druglikeness	-4.0847
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	4
Amides	1
AcidicOxygens	1
StereoCon

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1 - (E)-4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid | 2 - (E)-4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid

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