SMILES:
CS(=O)(=O)c1ccc2c(c1)OC(CN1CCOCC1)CO2Molecular Processing
Molecular formula
C14H19NO5S
Molecular weight
313.38
Exact mass
313.0984
XLogP
0.56
TPSA
65.07
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
76.72
Supplementary Information
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