(E)-2-benzoyl-3-[3-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]phenyl]prop-2-enenitrile

Formula:C26H16N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-benzoyl-3-[3-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-benzoyl-3-[3-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]phenyl]prop-2-enenitrile
MolecularFormula	C26H16N2O2
Smiles	N#C/C(/C(c1ccccc1)=O)=C\c1cccc(/C=C(/C(c2ccccc2)=O)\C#N)c1
InChI	InChI=1S/C26H16N2O2/c27-17-23(25(29)21-10-3-1-4-11-21)15-19-8-7-9-20(14-19)16-24(18-28)26(30)22-12-5-2-6-13-22/h1-16H
InChIK	VJMGNWXCGLVDTO-UHFFFAOYSA-N
TotalMolweight	388.425
Molweight	388.425
MonoisotopicMass	388.121178
CLogP	4.652
CLogS	-6.608
H Acceptors	4
TotalSurfaceArea	321.12
Relative PSA	0.16567
PolarSurfaceArea	81.72
Druglikeness	-3.8403
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	16
StereoCon

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