[4-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] benzoate

Formula:C23H15N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] benzoate is not a drug-like molecule.

MolName	[4-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] benzoate
MolecularFormula	C23H15N2O3Cl
Smiles	N#C/C(/C(Nc(cc1)ccc1Cl)=O)=C\c(cc1)ccc1OC(c1ccccc1)=O
InChI	InChI=1S/C23H15ClN2O3/c24-19-8-10-20(11-9-19)26-22(27)18(15-25)14-16-6-12-21(13-7-16)29-23(28)17-4-2-1-3-5-17/h1-14H,(H,26,27)
InChIK	BUJIKRCVIRGGMN-UHFFFAOYSA-N
TotalMolweight	402.836
Molweight	402.836
MonoisotopicMass	402.07712
CLogP	5.0248
CLogS	-5.976
H Acceptors	5
H Donors	1
TotalSurfaceArea	311.58
Relative PSA	0.1961
PolarSurfaceArea	79.19
Druglikeness	-1.7773
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
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
Amides	1
StereoCon

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