SMILES:
CC(C)N1CC2(COc3ccc(NS(C)(=O)=O)cc3OC2)OC1=OMolecular Processing
Molecular formula
C15H20N2O6S
Molecular weight
356.4
Exact mass
356.1042
XLogP
1.43
TPSA
94.17
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
86.95
Supplementary Information
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