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

Formula:C28H26O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] cyclohexanecarboxylate is not a drug-like molecule.

MolName	[4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] cyclohexanecarboxylate
MolecularFormula	C28H26O3
Smiles	O=C(C1CCCCC1)Oc1ccc(/C=C/C(c(cc2)ccc2-c2ccccc2)=O)cc1
InChI	InChI=1S/C28H26O3/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/h1,3-4,7-8,11-20,25H,2,5-6,9-10H2
InChIK	FQIDINKGFZDGMU-UHFFFAOYSA-N
TotalMolweight	410.511
Molweight	410.511
MonoisotopicMass	410.188195
CLogP	6.2938
CLogS	-7.552
H Acceptors	3
TotalSurfaceArea	332.58
Relative PSA	0.10849
PolarSurfaceArea	43.37
Druglikeness	-3.8361
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	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	8
StereoCon

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