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

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

MolName	(E)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide
MolecularFormula	C26H24N3O2Cl
Smiles	O=C(/C=C/c(cc1)ccc1Cl)Nc(cc1)ccc1N(CC1)CCN1C(c1ccccc1)=O
InChI	InChI=1S/C26H24ClN3O2/c27-22-9-6-20(7-10-22)8-15-25(31)28-23-11-13-24(14-12-23)29-16-18-30(19-17-29)26(32)21-4-2-1-3-5-21/h1-15H,16-19H2,(H,28,31)
InChIK	OCNFGLANUMIYOG-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	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6875
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	4
Symmetricatoms	8
Amides	2
Amines	1
Aromatic Amines	1
StereoCon

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