2-[[(E)-3-phenylprop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Formula:C17H14NO3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-phenylprop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is a drug-like molecule.

MolName	2-[[(E)-3-phenylprop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MolecularFormula	C17H14NO3S
Smiles	[O-]C(c1c(NC(/C=C/c2ccccc2)=O)sc2c1CCC2)=O
InChI	InChI=1S/C17H15NO3S/c19-14(10-9-11-5-2-1-3-6-11)18-16-15(17(20)21)12-7-4-8-13(12)22-16/h1-3,5-6,9-10H,4,7-8H2,(H,18,19)(H,20,21)/p-1
InChIK	YBAABLZLODMXCY-UHFFFAOYSA-M
TotalMolweight	312.368
Molweight	312.368
MonoisotopicMass	312.069439
CLogP	1.4164
CLogS	-4.493
H Acceptors	4
H Donors	1
TotalSurfaceArea	237.73
Relative PSA	0.30362
PolarSurfaceArea	97.47
Druglikeness	-0.35641
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-3-phenylprop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate | 2 - 2-[[(E)-3-phenylprop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

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