(E)-N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide

Formula:C26H24N3O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide
MolecularFormula	C26H24N3O2Cl
Smiles	O=C(/C=C/c(cc1)ccc1Cl)Nc(cccc1)c1N(CC1)CCN1C(c1ccccc1)=O
InChI	InChI=1S/C26H24ClN3O2/c27-22-13-10-20(11-14-22)12-15-25(31)28-23-8-4-5-9-24(23)29-16-18-30(19-17-29)26(32)21-6-2-1-3-7-21/h1-15H,16-19H2,(H,28,31)
InChIK	CBSYFWGBWUSXSA-UHFFFAOYSA-N
TotalMolweight	445.949
Molweight	445.949
MonoisotopicMass	445.155704
CLogP	5.0212
CLogS	-5.291
H Acceptors	5
H Donors	1
TotalSurfaceArea	343.8
Relative PSA	0.12984
PolarSurfaceArea	52.65
Druglikeness	5.7169
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	6
Amides	2
Amines	1
Aromatic Amines	1
StereoCon

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