Structure

InChI Key GDCXBZMWKSBSJG-UHFFFAOYSA-N
Smiles [NH4+].Cc1ccc(cc1)S(=O)(=O)[O-]
InChI
InChI=1/C7H8O3S.H3N/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11NO3S
Molecular Weight 189.05
AlogP 1.4
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 89.37
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 4124-42-9
NORMAN SUSDAT