이름: 1-(4-Fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid
SMILES:
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)OMolecular Processing
Molecular formula
C12H11FN2O2
Molecular weight
234.23
Exact mass
234.0805
XLogP
2.33
TPSA
55.12
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
59.96
Supplementary Information
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