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

Formula:C19H19N2O2ClS Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is a drug-like molecule.

MolName	2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
MolecularFormula	C19H19N2O2ClS
Smiles	NC(c1c(NC(/C=C/c(cccc2)c2Cl)=O)sc2c1CCCCC2)=O
InChI	InChI=1S/C19H19ClN2O2S/c20-14-8-5-4-6-12(14)10-11-16(23)22-19-17(18(21)24)13-7-2-1-3-9-15(13)25-19/h4-6,8,10-11H,1-3,7,9H2,(H2,21,24)(H,22,23)
InChIK	JNLZSVIWMPPFDV-UHFFFAOYSA-N
TotalMolweight	374.891
Molweight	374.891
MonoisotopicMass	374.085575
CLogP	4.3846
CLogS	-5.845
H Acceptors	4
H Donors	2
TotalSurfaceArea	281.66
Relative PSA	0.25978
PolarSurfaceArea	100.43
Druglikeness	-2.1295
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	2
StereoCon

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

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