SMILES:
O=[N+]([O-])c1c(O)nc(/C=C/c2ccccc2)nc1OMolecular Processing
Molecular formula
C12H9N3O4
Molecular weight
259.22
Exact mass
259.0593
XLogP
1.97
TPSA
109.38
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
67.39
Supplementary Information
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