SMILES:
CCOC(=O)C1CC2(CC(CC)N1S(=O)(=O)c1ccc(Cl)cc1)OCCO2Molecular Processing
Molecular formula
C18H24ClNO6S
Molecular weight
417.91
Exact mass
417.1013
XLogP
2.58
TPSA
82.14
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
98.85
Supplementary Information
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