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

Formula:C9H6NO2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,1,1-trifluoro-4-hydroxy-4-pyridin-3-ylbut-3-en-2-one is a drug-like molecule.

MolName	(E)-1,1,1-trifluoro-4-hydroxy-4-pyridin-3-ylbut-3-en-2-one
MolecularFormula	C9H6NO2F3
Smiles	O/C(/c1cnccc1)=C/C(C(F)(F)F)=O
InChI	InChI=1S/C9H6F3NO2/c10-9(11,12)8(15)4-7(14)6-2-1-3-13-5-6/h1-5,14H
InChIK	DNVLDHZYSHRIBQ-UHFFFAOYSA-N
TotalMolweight	217.146
Molweight	217.146
MonoisotopicMass	217.035063
CLogP	0.9299
CLogS	-1.924
H Acceptors	3
H Donors	1
TotalSurfaceArea	150.29
Relative PSA	0.24692
PolarSurfaceArea	50.19
Druglikeness	-32.722
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	15
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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