이름: 5-amino-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1nn(-c2ccccc2)c(N)c1CMolecular Processing
Molecular formula
C13H15N3O2
Molecular weight
245.28
Exact mass
245.1164
XLogP
1.94
TPSA
70.14
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
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
0.231
Molar refractivity
68.67
Supplementary Information
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