2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula:C16H14NO4S Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is a drug-like molecule.

MolName	2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MolecularFormula	C16H14NO4S
Smiles	[O-]C(c1c(NC(/C=C/c2ccco2)=O)sc2c1CCCC2)=O
InChI	InChI=1S/C16H15NO4S/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	GFCAYKAOXCYHRX-UHFFFAOYSA-M
TotalMolweight	316.356
Molweight	316.356
MonoisotopicMass	316.064354
CLogP	0.9471
CLogS	-4.445
H Acceptors	5
H Donors	1
TotalSurfaceArea	241.18
Relative PSA	0.35778
PolarSurfaceArea	110.61
Druglikeness	-2.6625
Mutagenic	high
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-(furan-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | 2 - 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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