2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Formula:C17H16NO4S Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is a drug-like molecule.

MolName	2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
MolecularFormula	C17H16NO4S
Smiles	[O-]C(c1c(NC(/C=C/c2ccco2)=O)sc2c1CCCCC2)=O
InChI	InChI=1S/C17H17NO4S/c19-14(9-8-11-5-4-10-22-11)18-16-15(17(20)21)12-6-2-1-3-7-13(12)23-16/h4-5,8-10H,1-3,6-7H2,(H,18,19)(H,20,21)/p-1
InChIK	OBEFKLGRNKGNHE-UHFFFAOYSA-M
TotalMolweight	330.383
Molweight	330.383
MonoisotopicMass	330.080004
CLogP	1.2891
CLogS	-4.715
H Acceptors	5
H Donors	1
TotalSurfaceArea	254.94
Relative PSA	0.33847
PolarSurfaceArea	110.61
Druglikeness	-2.6625
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	6
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate | 2 - 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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