[4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate

Formula:C23H13NO3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high [4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName	[4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate
MolecularFormula	C23H13NO3Cl2
Smiles	N#C/C(/C(c(cc1)ccc1Cl)=O)=C\c(cc1)ccc1OC(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C23H13Cl2NO3/c24-19-7-3-16(4-8-19)22(27)18(14-26)13-15-1-11-21(12-2-15)29-23(28)17-5-9-20(25)10-6-17/h1-13H
InChIK	ZNKIUVUHLVSXFC-UHFFFAOYSA-N
TotalMolweight	422.266
Molweight	422.266
MonoisotopicMass	421.027248
CLogP	5.7983
CLogS	-7.054
H Acceptors	4
TotalSurfaceArea	315.54
Relative PSA	0.15732
PolarSurfaceArea	67.16
Druglikeness	-3.7077
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	6
StereoCon

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