Name: 5-pyridin-4-yl-4H-pyrazole-3-carboxylic acid
SMILES:
O=C(O)C1=NN=C(c2ccncc2)C1Molecular Processing
Molecular formula
C9H7N3O2
Molecular weight
189.17
Exact mass
189.0538
XLogP
0.72
TPSA
74.91
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
50.46
Supplementary Information
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