(E)-2-(4-chlorobenzoyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile

Formula:C24H14NOCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(4-chlorobenzoyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(4-chlorobenzoyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile
MolecularFormula	C24H14NOCl
Smiles	N#C/C(/C(c(cc1)ccc1Cl)=O)=C\c(cc1)ccc1C#Cc1ccccc1
InChI	InChI=1S/C24H14ClNO/c25-23-14-12-21(13-15-23)24(27)22(17-26)16-20-10-8-19(9-11-20)7-6-18-4-2-1-3-5-18/h1-5,8-16H
InChIK	JOEQTAQEBCNCQH-UHFFFAOYSA-N
TotalMolweight	367.834
Molweight	367.834
MonoisotopicMass	367.076391
CLogP	5.9458
CLogS	-5.884
H Acceptors	2
TotalSurfaceArea	302.17
Relative PSA	0.08803
PolarSurfaceArea	40.86
Druglikeness	-7.4829
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	6
StereoCon

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