(E)-1,1,1-trifluoro-6-(2-hydroxyphenyl)hex-5-ene-2,4-dione

Formula:C12H9O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,1,1-trifluoro-6-(2-hydroxyphenyl)hex-5-ene-2,4-dione is a drug-like molecule.

MolName	(E)-1,1,1-trifluoro-6-(2-hydroxyphenyl)hex-5-ene-2,4-dione
MolecularFormula	C12H9O3F3
Smiles	Oc1c(/C=C/C(CC(C(F)(F)F)=O)=O)cccc1
InChI	InChI=1S/C12H9F3O3/c13-12(14,15)11(18)7-9(16)6-5-8-3-1-2-4-10(8)17/h1-6,17H,7H2
InChIK	VLWSGCOTAOYGAA-UHFFFAOYSA-N
TotalMolweight	258.194
Molweight	258.194
MonoisotopicMass	258.050379
CLogP	2.146
CLogS	-3.082
H Acceptors	3
H Donors	1
TotalSurfaceArea	184.83
Relative PSA	0.21198
PolarSurfaceArea	54.37
Druglikeness	-44.234
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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