SMILES:
O=C1NC(C(=O)O)CS1Molecular Processing
Molecular formula
C4H5NO3S
Molecular weight
147.16
Exact mass
146.999
XLogP
-0.1
TPSA
66.4
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
32.41
Supplementary Information
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