SODIUM TETRAHYDRONAPHTHALENE-2-SULPHONATE

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

Structure

InChI Key QXRBXMKEMUAWPM-UHFFFAOYSA-N
Smiles [Na+].[O-][S](=O)(=O)C1CCc2ccccc2C1
InChI
InChI=1S/C10H12O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H,11,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O3S1
Molecular Weight 212.05
AlogP 1.43
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 54.37
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 25447-59-0
NORMAN SUSDAT
CONTENTS