SMILES:
O=c1[nH]nc2ccccn12Molecular Processing
Molecular formula
C6H5N3O
Molecular weight
135.13
Exact mass
135.0433
XLogP
0.02
TPSA
50.16
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
Rings
2
Aromatic rings
2
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
35.81
Supplementary Information
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