SODIUM 3-AMINOBENZENESULPHONATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key GLXWXYTYBIBBLD-UHFFFAOYSA-M
Smiles [Na+].Nc1cccc(c1)S(=O)(=O)[O-]
InChI
InChI=1/C6H7NO3S.Na/c7-5-2-1-3-6(4-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6NNaO3S
Molecular Weight 195.0
AlogP -2.82
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 83.22
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 1126-34-7
NORMAN SUSDAT
CONTENTS