이름: 6-chloro-8-(5-bromo-2,4-dimethoxy-phenyl)-purine
SMILES:
COc1cc(OC)c(-c2nc3ncnc(Cl)c3[nH]2)cc1BrMolecular Processing
Molecular formula
C13H10BrClN4O2
Molecular weight
369.61
Exact mass
367.9676
XLogP
3.45
TPSA
72.92
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
82.93
Supplementary Information
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