SMILES:
Nc1n[nH]c2ccc([N+](=O)[O-])cc12Molecular Processing
Molecular formula
C7H6N4O2
Molecular weight
178.15
Exact mass
178.0491
XLogP
1.05
TPSA
97.84
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
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
47.16
Supplementary Information
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