Название: 3-bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
SMILES:
Clc1ncnc2[nH]nc(Br)c12Molecular Processing
Molecular formula
C5H2BrClN4
Molecular weight
233.46
Exact mass
231.9151
XLogP
1.77
TPSA
54.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
11
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
Molar refractivity
44.39
Supplementary Information
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