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

Formula:C20H18N2OClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloro-6-fluorophenyl)-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-(2-chloro-6-fluorophenyl)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)prop-2-enamide
MolecularFormula	C20H18N2OClFS
Smiles	N#Cc1c(NC(/C=C/c(c(F)ccc2)c2Cl)=O)sc2c1CCCCCC2
InChI	InChI=1S/C20H18ClFN2OS/c21-16-7-5-8-17(22)14(16)10-11-19(25)24-20-15(12-23)13-6-3-1-2-4-9-18(13)26-20/h5,7-8,10-11H,1-4,6,9H2,(H,24,25)
InChIK	BXOTVTPCLKDBOW-UHFFFAOYSA-N
TotalMolweight	388.893
Molweight	388.893
MonoisotopicMass	388.081238
CLogP	6.0943
CLogS	-7.113
H Acceptors	3
H Donors	1
TotalSurfaceArea	297.21
Relative PSA	0.19656
PolarSurfaceArea	81.13
Druglikeness	-8.9886
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
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-(2-chloro-6-fluorophenyl)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)prop-2-enamide | 2 - (E)-3-(2-chloro-6-fluorophenyl)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)prop-2-enamide

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