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

Formula:C28H20O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] benzoate is not a drug-like molecule.

MolName	[2-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] benzoate
MolecularFormula	C28H20O3
Smiles	O=C(/C=C/c(cccc1)c1OC(c1ccccc1)=O)c(cc1)ccc1-c1ccccc1
InChI	InChI=1S/C28H20O3/c29-26(23-17-15-22(16-18-23)21-9-3-1-4-10-21)20-19-24-11-7-8-14-27(24)31-28(30)25-12-5-2-6-13-25/h1-20H
InChIK	AGLGKZYVHPCRRC-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	0.6129
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	6
StereoCon

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