4-[(E)-3-[3-[(E)-3-(4-cyanophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]benzonitrile

Formula:C26H16N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-3-[3-[(E)-3-(4-cyanophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]benzonitrile is a drug-like molecule.

MolName	4-[(E)-3-[3-[(E)-3-(4-cyanophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]benzonitrile
MolecularFormula	C26H16N2O2
Smiles	N#Cc(cc1)ccc1C(/C=C/c1cccc(/C=C/C(c(cc2)ccc2C#N)=O)c1)=O
InChI	InChI=1S/C26H16N2O2/c27-17-21-4-10-23(11-5-21)25(29)14-8-19-2-1-3-20(16-19)9-15-26(30)24-12-6-22(18-28)7-13-24/h1-16H
InChIK	ZETCIVGEOMYJRF-UHFFFAOYSA-N
TotalMolweight	388.425
Molweight	388.425
MonoisotopicMass	388.121178
CLogP	4.6192
CLogS	-7.61
H Acceptors	4
TotalSurfaceArea	324.7
Relative PSA	0.16384
PolarSurfaceArea	81.72
Druglikeness	-3.9914
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.7
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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