O=[N+]([O-])c1cn[nH]n1
SMILES: O=[N+]([O-])c1cn[nH]n1

Molecular Processing

Molecular formula
C2H2N4O2
Molecular weight
114.06
Exact mass
114.0178
XLogP
-0.29
TPSA
84.71
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
23.04

Supplementary Information

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