(3Z)-3-benzylidene-N-(3-chlorophenyl)-2-piperidin-1-ylcyclohexene-1-carboxamide

Formula:C25H27N2OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (3Z)-3-benzylidene-N-(3-chlorophenyl)-2-piperidin-1-ylcyclohexene-1-carboxamide is not a drug-like molecule.

MolName	(3Z)-3-benzylidene-N-(3-chlorophenyl)-2-piperidin-1-ylcyclohexene-1-carboxamide
MolecularFormula	C25H27N2OCl
Smiles	O=C(C(CCC/C1=C/c2ccccc2)=C1N1CCCCC1)Nc1cccc(Cl)c1
InChI	InChI=1S/C25H27ClN2O/c26-21-12-8-13-22(18-21)27-25(29)23-14-7-11-20(17-19-9-3-1-4-10-19)24(23)28-15-5-2-6-16-28/h1,3-4,8-10,12-13,17-18H,2,5-7,11,14-16H2,(H,27,29)
InChIK	WFMZSEURFVRHTQ-UHFFFAOYSA-N
TotalMolweight	406.955
Molweight	406.955
MonoisotopicMass	406.18119
CLogP	5.8095
CLogS	-5.667
H Acceptors	3
H Donors	1
TotalSurfaceArea	318.66
Relative PSA	0.088025
PolarSurfaceArea	32.34
Druglikeness	3.4157
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
Amides	1
StereoCon

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