SMILES:
COc1ccccc1-c1ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c1Molecular Processing
Molecular formula
C18H19NO5
Molecular weight
329.35
Exact mass
329.1263
XLogP
4.23
TPSA
78.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
90.25
Supplementary Information
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