(2E,4E)-2-(3-chlorophenyl)-5-phenylpenta-2,4-dienenitrile

Formula:C17H12NCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E,4E)-2-(3-chlorophenyl)-5-phenylpenta-2,4-dienenitrile is a drug-like molecule.

MolName	(2E,4E)-2-(3-chlorophenyl)-5-phenylpenta-2,4-dienenitrile
MolecularFormula	C17H12NCl
Smiles	N#C/C(/c1cccc(Cl)c1)=C/C=C/c1ccccc1
InChI	InChI=1S/C17H12ClN/c18-17-11-5-9-15(12-17)16(13-19)10-4-8-14-6-2-1-3-7-14/h1-12H
InChIK	AFIWYYHCLYCCEJ-UHFFFAOYSA-N
TotalMolweight	265.742
Molweight	265.742
MonoisotopicMass	265.065826
CLogP	4.5952
CLogS	-4.677
H Acceptors	1
TotalSurfaceArea	221.36
Relative PSA	0.061258
PolarSurfaceArea	23.79
Druglikeness	-4.6195
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
StereoCon

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