(2E,5E)-2,5-bis[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one

Formula:C21H14OF6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E,5E)-2,5-bis[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one is not a drug-like molecule.

MolName	(2E,5E)-2,5-bis[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one
MolecularFormula	C21H14OF6
Smiles	O=C(/C(/CC1)=C/c2ccc(C(F)(F)F)cc2)/C1=C/c1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C21H14F6O/c22-20(23,24)17-7-1-13(2-8-17)11-15-5-6-16(19(15)28)12-14-3-9-18(10-4-14)21(25,26)27/h1-4,7-12H,5-6H2
InChIK	YEAIIXWGVOJLAH-UHFFFAOYSA-N
TotalMolweight	396.329
Molweight	396.329
MonoisotopicMass	396.094883
CLogP	6.1926
CLogS	-5.876
H Acceptors	1
TotalSurfaceArea	273.13
Relative PSA	0.047743
PolarSurfaceArea	17.07
Druglikeness	-7.434
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	17
StereoCon

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