名称: 5-(3,3-Dimethyl-2-oxo-butylamino)-1-phenyl-1H-pyrazole-3-carboxylic acid
SMILES:
CC(C)(C)C(=O)CNc1cc(C(=O)O)nn1-c1ccccc1Molecular Processing
Molecular formula
C16H19N3O3
Molecular weight
301.35
Exact mass
301.1426
XLogP
2.6
TPSA
84.22
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
22
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
0.312
Molar refractivity
83.48
Supplementary Information
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