CCOC(=O)c1ccc(NC(=O)c2cc(OC)c3c(c2)N(S(=O)(=O)c2cc(Cl)ccc2OC)CO3)cc1
SMILES: CCOC(=O)c1ccc(NC(=O)c2cc(OC)c3c(c2)N(S(=O)(=O)c2cc(Cl)ccc2OC)CO3)cc1

Molecular Processing

Molecular formula
C25H23ClN2O8S
Molecular weight
546.99
Exact mass
546.0864
XLogP
4.33
TPSA
120.47
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
136.51

Supplementary Information

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