(E)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one

Formula:C10H7O2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one is a drug-like molecule.

MolName	(E)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
MolecularFormula	C10H7O2F3
Smiles	O/C(/c1ccccc1)=C/C(C(F)(F)F)=O
InChI	InChI=1S/C10H7F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-6,14H
InChIK	VVRLQETZGSWUNO-UHFFFAOYSA-N
TotalMolweight	216.158
Molweight	216.158
MonoisotopicMass	216.039814
CLogP	1.9308
CLogS	-2.719
H Acceptors	2
H Donors	1
TotalSurfaceArea	151.53
Relative PSA	0.17251
PolarSurfaceArea	37.3
Druglikeness	-32.891
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	15
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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