[4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] benzoate

Formula:C28H20O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] benzoate is not a drug-like molecule.

MolName	[4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] benzoate
MolecularFormula	C28H20O3
Smiles	O=C(/C=C/c(cc1)ccc1OC(c1ccccc1)=O)c(cc1)ccc1-c1ccccc1
InChI	InChI=1S/C28H20O3/c29-27(24-16-14-23(15-17-24)22-7-3-1-4-8-22)20-13-21-11-18-26(19-12-21)31-28(30)25-9-5-2-6-10-25/h1-20H
InChIK	ZFCLWGHODUIIKQ-UHFFFAOYSA-N
TotalMolweight	404.464
Molweight	404.464
MonoisotopicMass	404.141245
CLogP	6.3935
CLogS	-7.396
H Acceptors	3
TotalSurfaceArea	324.54
Relative PSA	0.11117
PolarSurfaceArea	43.37
Druglikeness	0.078164
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.67742
Fragments	1
Non HAtoms	31
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	8
StereoCon

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