(3E,5E)-3,5-bis[(3-fluorophenyl)methylidene]-4-oxo-1-phenylcyclohexane-1-carbonitrile

Formula:C27H19NOF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E,5E)-3,5-bis[(3-fluorophenyl)methylidene]-4-oxo-1-phenylcyclohexane-1-carbonitrile is not a drug-like molecule.

MolName	(3E,5E)-3,5-bis[(3-fluorophenyl)methylidene]-4-oxo-1-phenylcyclohexane-1-carbonitrile
MolecularFormula	C27H19NOF2
Smiles	N#CC(C/C(/C1=O)=C\c2cc(F)ccc2)(C/C1=C\c1cccc(F)c1)c1ccccc1
InChI	InChI=1S/C27H19F2NO/c28-24-10-4-6-19(14-24)12-21-16-27(18-30,23-8-2-1-3-9-23)17-22(26(21)31)13-20-7-5-11-25(29)15-20/h1-15H,16-17H2
InChIK	ZSCRNHMSNLALQE-UHFFFAOYSA-N
TotalMolweight	411.45
Molweight	411.45
MonoisotopicMass	411.14347
CLogP	5.8016
CLogS	-6.888
H Acceptors	2
TotalSurfaceArea	318.79
Relative PSA	0.083441
PolarSurfaceArea	40.86
Druglikeness	-4.4103
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.41935
Fragments	1
Non HAtoms	31
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	12
StereoCon

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