SMILES:
O=C(O)CC1SC(=O)NC1=OMolecular Processing
Molecular formula
C5H5NO4S
Molecular weight
175.16
Exact mass
174.9939
XLogP
-0.19
TPSA
83.47
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
37.17
Supplementary Information
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