Name: 1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-ol
SMILES:
Oc1cnn(-c2cccc(C(F)(F)F)c2)c1Molecular Processing
Molecular formula
C10H7F3N2O
Molecular weight
228.17
Exact mass
228.051
XLogP
2.6
TPSA
38.05
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
50.23
Supplementary Information
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