SMILES:
COc1cc(CC(=O)OC(C)(C)C)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C13H17NO5
Molecular weight
267.28
Exact mass
267.1107
XLogP
2.49
TPSA
78.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
19
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
0.462
Molar refractivity
69.2
Supplementary Information
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