SMILES:
CCOc1cc(C=O)cc([N+](=O)[O-])c1OMolecular Processing
Molecular formula
C9H9NO5
Molecular weight
211.17
Exact mass
211.0481
XLogP
1.51
TPSA
89.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
15
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
0.222
Molar refractivity
51.32
Supplementary Information
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