SMILES:
CC(C)NCC1(O)COc2ccc(NS(C)(=O)=O)cc2OC1Molecular Processing
Molecular formula
C14H22N2O5S
Molecular weight
330.41
Exact mass
330.1249
XLogP
0.56
TPSA
96.89
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
83.99
Supplementary Information
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