(2E,7E)-2,7-bis[[4-(trifluoromethyl)phenyl]methylidene]cycloheptan-1-one

Formula:C23H18OF6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E,7E)-2,7-bis[[4-(trifluoromethyl)phenyl]methylidene]cycloheptan-1-one is not a drug-like molecule.

MolName	(2E,7E)-2,7-bis[[4-(trifluoromethyl)phenyl]methylidene]cycloheptan-1-one
MolecularFormula	C23H18OF6
Smiles	O=C(/C(/CCCC1)=C/c2ccc(C(F)(F)F)cc2)/C1=C/c1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C23H18F6O/c24-22(25,26)19-9-5-15(6-10-19)13-17-3-1-2-4-18(21(17)30)14-16-7-11-20(12-8-16)23(27,28)29/h5-14H,1-4H2
InChIK	GLEMXLVFNPRHKD-UHFFFAOYSA-N
TotalMolweight	424.383
Molweight	424.383
MonoisotopicMass	424.126183
CLogP	6.8766
CLogS	-6.416
H Acceptors	1
TotalSurfaceArea	300.65
Relative PSA	0.043373
PolarSurfaceArea	17.07
Druglikeness	-11.644
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	18
StereoCon

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