SMILES:
O=C(O)C1CCCN1S(=O)(=O)CCSMolecular Processing
Molecular formula
C7H13NO4S2
Molecular weight
239.32
Exact mass
239.0286
XLogP
-0.2
TPSA
74.68
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
55
Supplementary Information
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