SMILES:
CCC(OS(C)(=O)=O)C(N)=OMolecular Processing
Molecular formula
C5H11NO4S
Molecular weight
181.21
Exact mass
181.0409
XLogP
-0.77
TPSA
86.46
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
39.2
Supplementary Information
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