2-[1-[(Z)-1-(2-chlorophenyl)-3-oxo-3-phenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile

Formula:C23H14N3OCl Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[1-[(Z)-1-(2-chlorophenyl)-3-oxo-3-phenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile is a drug-like molecule.

MolName	2-[1-[(Z)-1-(2-chlorophenyl)-3-oxo-3-phenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile
MolecularFormula	C23H14N3OCl
Smiles	N#CC(C#N)=C(C=CC=C1)N1/C(/C(c1ccccc1)=O)=C\c(cccc1)c1Cl
InChI	InChI=1S/C23H14ClN3O/c24-20-11-5-4-10-18(20)14-22(23(28)17-8-2-1-3-9-17)27-13-7-6-12-21(27)19(15-25)16-26/h1-14H
InChIK	BERRLCGUJHDHIO-UHFFFAOYSA-N
TotalMolweight	383.837
Molweight	383.837
MonoisotopicMass	383.082539
CLogP	4.5186
CLogS	-6.259
H Acceptors	4
TotalSurfaceArea	307.04
Relative PSA	0.14236
PolarSurfaceArea	67.89
Druglikeness	-6.2515
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; 1,1-dinitrile
Shape Index	0.39286
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	4
BasicNitrogens	1
StereoCon

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