(2E)-2-[[3-(trifluoromethyl)phenyl]methylidene]-3,4-dihydropyrazol-2-ium-5-olate

Formula:C11H9N2OF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-[[3-(trifluoromethyl)phenyl]methylidene]-3,4-dihydropyrazol-2-ium-5-olate is a drug-like molecule.

MolName	(2E)-2-[[3-(trifluoromethyl)phenyl]methylidene]-3,4-dihydropyrazol-2-ium-5-olate
MolecularFormula	C11H9N2OF3
Smiles	[O-]C(CC1)=N/[N+]1=C/c1cccc(C(F)(F)F)c1
InChI	InChI=1S/C11H9F3N2O/c12-11(13,14)9-3-1-2-8(6-9)7-16-5-4-10(17)15-16/h1-3,6-7H,4-5H2
InChIK	HTDZIXKNRMUYNU-UHFFFAOYSA-N
TotalMolweight	242.199
Molweight	242.199
MonoisotopicMass	242.066697
CLogP	-0.1172
CLogS	-1.007
H Acceptors	3
TotalSurfaceArea	162.04
Relative PSA	0.12707
PolarSurfaceArea	38.43
Druglikeness	-9.1142
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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