SMILES:
O=C1NN=C(c2cccc([N+](=O)[O-])c2)C2CC12Molecular Processing
Molecular formula
C11H9N3O3
Molecular weight
231.21
Exact mass
231.0644
XLogP
1.06
TPSA
84.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
59.37
Supplementary Information
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