3-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzonitrile

Formula:C22H15NO Mutagenic:low Tumorigenic:none Reproductive Effective:high 3-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzonitrile is a drug-like molecule.

MolName	3-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzonitrile
MolecularFormula	C22H15NO
Smiles	N#Cc1cccc(/C=C(\C(c2ccccc2)=O)/c2ccccc2)c1
InChI	InChI=1S/C22H15NO/c23-16-18-9-7-8-17(14-18)15-21(19-10-3-1-4-11-19)22(24)20-12-5-2-6-13-20/h1-15H
InChIK	MXHROFBPTBYFLW-UHFFFAOYSA-N
TotalMolweight	309.367
Molweight	309.367
MonoisotopicMass	309.115364
CLogP	4.4762
CLogS	-5.57
H Acceptors	2
TotalSurfaceArea	256.95
Relative PSA	0.10352
PolarSurfaceArea	40.86
Druglikeness	-3.6633
Mutagenic	low
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	4
StereoCon

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