C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3o2)C1=O
SMILES: C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3o2)C1=O

Molecular Processing

Molecular formula
C19H22ClN3O6S
Molecular weight
455.92
Exact mass
455.0918
XLogP
1.21
TPSA
109.16
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
108.52

Supplementary Information

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