SMILES:
Nc1c(Nc2cccnc2)c(=O)c1=OMolecular Processing
Molecular formula
C9H7N3O2
Molecular weight
189.17
Exact mass
189.0538
XLogP
0
TPSA
85.08
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
14
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
Molar refractivity
53.29
Supplementary Information
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