N-[(Z)-3-(azepan-1-yl)-1-(2-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C22H23N2O2Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(Z)-3-(azepan-1-yl)-1-(2-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(Z)-3-(azepan-1-yl)-1-(2-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C22H23N2O2Cl
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C/c(cccc1)c1Cl)N1CCCCCC1
InChI	InChI=1S/C22H23ClN2O2/c23-19-13-7-6-12-18(19)16-20(22(27)25-14-8-1-2-9-15-25)24-21(26)17-10-4-3-5-11-17/h3-7,10-13,16H,1-2,8-9,14-15H2,(H,24,26)
InChIK	XJLZRVHRFTVQMV-UHFFFAOYSA-N
TotalMolweight	382.89
Molweight	382.89
MonoisotopicMass	382.144805
CLogP	5.0626
CLogS	-4.966
H Acceptors	4
H Donors	1
TotalSurfaceArea	299.47
Relative PSA	0.13721
PolarSurfaceArea	49.41
Druglikeness	1.1947
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	5
Amides	2
StereoCon

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