SMILES:
COc1nccnc1C(N)=OMolecular Processing
Molecular formula
C6H7N3O2
Molecular weight
153.14
Exact mass
153.0538
XLogP
-0.42
TPSA
78.1
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
37.1
Supplementary Information
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