名称: [1-(5-Bromo-2-hydroxy-benzyl)-5-methyl-1H-pyrazol-4-yl]-acetic acid ethyl ester
SMILES:
CCOC(=O)Cc1cnn(Cc2cc(Br)ccc2O)c1CMolecular Processing
Molecular formula
C15H17BrN2O3
Molecular weight
353.22
Exact mass
352.0423
XLogP
2.81
TPSA
64.35
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
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
0.333
Molar refractivity
82.21
Supplementary Information
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