(E)-3-(3-chlorophenyl)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)prop-2-enamide

Formula:C20H19N2OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-chlorophenyl)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(3-chlorophenyl)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)prop-2-enamide
MolecularFormula	C20H19N2OClS
Smiles	N#Cc1c(NC(/C=C/c2cccc(Cl)c2)=O)sc2c1CCCCCC2
InChI	InChI=1S/C20H19ClN2OS/c21-15-7-5-6-14(12-15)10-11-19(24)23-20-17(13-22)16-8-3-1-2-4-9-18(16)25-20/h5-7,10-12H,1-4,8-9H2,(H,23,24)
InChIK	LCJRLLOSQGRJOO-UHFFFAOYSA-N
TotalMolweight	370.903
Molweight	370.903
MonoisotopicMass	370.09066
CLogP	5.9935
CLogS	-6.799
H Acceptors	3
H Donors	1
TotalSurfaceArea	290.86
Relative PSA	0.20085
PolarSurfaceArea	81.13
Druglikeness	-7.6486
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Amides	1
StereoCon

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1 - (E)-3-(3-chlorophenyl)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)prop-2-enamide | 2 - (E)-3-(3-chlorophenyl)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)prop-2-enamide

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