(E)-4-(4-chlorophenyl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one

Formula:C10H6O2ClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-(4-chlorophenyl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one is a drug-like molecule.

MolName	(E)-4-(4-chlorophenyl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one
MolecularFormula	C10H6O2ClF3
Smiles	O/C(/c(cc1)ccc1Cl)=C/C(C(F)(F)F)=O
InChI	InChI=1S/C10H6ClF3O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-5,15H
InChIK	RESLPNKXHQNERF-UHFFFAOYSA-N
TotalMolweight	250.603
Molweight	250.603
MonoisotopicMass	250.000841
CLogP	2.5368
CLogS	-3.455
H Acceptors	2
H Donors	1
TotalSurfaceArea	166.95
Relative PSA	0.15657
PolarSurfaceArea	37.3
Druglikeness	-32.808
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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