SMILES:
COc1cc2c(cc1[N+](=O)[O-])OC(C)(C)C1OC21Molecular Processing
Molecular formula
C12H13NO5
Molecular weight
251.24
Exact mass
251.0794
XLogP
2.21
TPSA
74.13
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
18
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
0.5
Molar refractivity
61.97
Supplementary Information
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