SMILES:
Nc1nc(O)nc2nc(-c3ccco3)nn12Molecular Processing
Molecular formula
C8H6N6O2
Molecular weight
218.18
Exact mass
218.0552
XLogP
0.07
TPSA
115.36
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
1
Heavy atoms
16
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
Molar refractivity
52.36
Supplementary Information
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