4-[(E)-4,4,4-trifluoro-3-(trifluoromethyl)but-1-enoxy]naphthalene-1,2-dione

Formula:C15H8O3F6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-4,4,4-trifluoro-3-(trifluoromethyl)but-1-enoxy]naphthalene-1,2-dione is a drug-like molecule.

MolName	4-[(E)-4,4,4-trifluoro-3-(trifluoromethyl)but-1-enoxy]naphthalene-1,2-dione
MolecularFormula	C15H8O3F6
Smiles	O=C(C=C(c1c2cccc1)O/C=C/C(C(F)(F)F)C(F)(F)F)C2=O
InChI	InChI=1S/C15H8F6O3/c16-14(17,18)12(15(19,20)21)5-6-24-11-7-10(22)13(23)9-4-2-1-3-8(9)11/h1-7,12H
InChIK	KGFWBIDIZPBMFG-UHFFFAOYSA-N
TotalMolweight	350.214
Molweight	350.214
MonoisotopicMass	350.037763
CLogP	3.6947
CLogS	-5.041
H Acceptors	3
TotalSurfaceArea	227.89
Relative PSA	0.15832
PolarSurfaceArea	43.37
Druglikeness	-13.592
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45833
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	6
StereoCon

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