SMILES:
Cn1cc([N+](=O)[O-])cc(-n2nccn2)c1=OMolecular Processing
Molecular formula
C8H7N5O3
Molecular weight
221.18
Exact mass
221.0549
XLogP
-0.13
TPSA
95.85
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
53.25
Supplementary Information
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