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

Formula:C28H26O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] cyclohexanecarboxylate is not a drug-like molecule.

MolName	[2-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] cyclohexanecarboxylate
MolecularFormula	C28H26O3
Smiles	O=C(C1CCCCC1)Oc1c(/C=C/C(c(cc2)ccc2-c2ccccc2)=O)cccc1
InChI	InChI=1S/C28H26O3/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/h1,3-4,7-11,14-20,25H,2,5-6,12-13H2
InChIK	WNYNLLSMYKACQQ-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	0.6129
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	6
StereoCon

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