SMILES:
COc1ccc(C(=O)Cc2c(Cl)c[n+]([O-])cc2Cl)c2c1OCC1(COC1)CO2Molecular Processing
Molecular formula
C19H17Cl2NO6
Molecular weight
426.25
Exact mass
425.0433
XLogP
2.85
TPSA
80.93
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
100.69
Supplementary Information
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