Название: benzyl 5-(benzyloxy)-4-methoxy-2-nitrobenzoate
SMILES:
COc1cc([N+](=O)[O-])c(C(=O)OCc2ccccc2)cc1OCc1ccccc1Molecular Processing
Molecular formula
C22H19NO6
Molecular weight
393.4
Exact mass
393.1212
XLogP
4.54
TPSA
87.9
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
105.98
Supplementary Information
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