SMILES:
ON=Cc1ccncn1Molecular Processing
Molecular formula
C5H5N3O
Molecular weight
123.11
Exact mass
123.0433
XLogP
0.28
TPSA
58.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
31.41
Supplementary Information
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