2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula:C16H14NO3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is a drug-like molecule.

MolName	2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MolecularFormula	C16H14NO3S2
Smiles	[O-]C(c1c(NC(/C=C/c2cccs2)=O)sc2c1CCCC2)=O
InChI	InChI=1S/C16H15NO3S2/c18-13(8-7-10-4-3-9-21-10)17-15-14(16(19)20)11-5-1-2-6-12(11)22-15/h3-4,7-9H,1-2,5-6H2,(H,17,18)(H,19,20)/p-1
InChIK	GSNKIISOASPDRH-UHFFFAOYSA-M
TotalMolweight	332.423
Molweight	332.423
MonoisotopicMass	332.041509
CLogP	1.625
CLogS	-4.773
H Acceptors	4
H Donors	1
TotalSurfaceArea	247.43
Relative PSA	0.374
PolarSurfaceArea	125.71
Druglikeness	-2.016
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	5
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | 2 - 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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