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

Formula:C15H12NO4S Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is a drug-like molecule.

MolName	2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MolecularFormula	C15H12NO4S
Smiles	[O-]C(c1c(NC(/C=C/c2ccco2)=O)sc2c1CCC2)=O
InChI	InChI=1S/C15H13NO4S/c17-12(7-6-9-3-2-8-20-9)16-14-13(15(18)19)10-4-1-5-11(10)21-14/h2-3,6-8H,1,4-5H2,(H,16,17)(H,18,19)/p-1
InChIK	NTDQBZBUYUVNCW-UHFFFAOYSA-M
TotalMolweight	302.329
Molweight	302.329
MonoisotopicMass	302.048704
CLogP	0.6051
CLogS	-4.175
H Acceptors	5
H Donors	1
TotalSurfaceArea	227.42
Relative PSA	0.37943
PolarSurfaceArea	110.61
Druglikeness	-0.33254
Mutagenic	high
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	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	4
Amides	1
AcidicOxygens	1
StereoCon

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

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