(E)-1-(4-chlorophenyl)-3-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]piperazin-1-yl]prop-2-en-1-one

Formula:C22H20N2O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-chlorophenyl)-3-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-chlorophenyl)-3-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C22H20N2O2Cl2
Smiles	O=C(/C=C/N(CC1)CCN1/C=C/C(c(cc1)ccc1Cl)=O)c(cc1)ccc1Cl
InChI	InChI=1S/C22H20Cl2N2O2/c23-19-5-1-17(2-6-19)21(27)9-11-25-13-15-26(16-14-25)12-10-22(28)18-3-7-20(24)8-4-18/h1-12H,13-16H2
InChIK	QAPIXSNLKVJVHY-UHFFFAOYSA-N
TotalMolweight	415.319
Molweight	415.319
MonoisotopicMass	414.090182
CLogP	3.4906
CLogS	-5.068
H Acceptors	4
TotalSurfaceArea	314.5
Relative PSA	0.1055
PolarSurfaceArea	40.62
Druglikeness	5.1993
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	17
StereoCon

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