Cc1cc(N2CC(S(=O)(=O)c3ccccc3Cl)CC2C(=O)O)n(C2CCCCC2)n1
SMILES: Cc1cc(N2CC(S(=O)(=O)c3ccccc3Cl)CC2C(=O)O)n(C2CCCCC2)n1

Molecular Processing

Molecular formula
C21H26ClN3O4S
Molecular weight
451.98
Exact mass
451.1333
XLogP
3.86
TPSA
92.5
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
114.9

Supplementary Information

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