1-NAPHTHOL-4,8-DISULFONIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L6O8AVH6FU
EPA CompTox DTXSID30151655

Structure

InChI Key XIQKALDENTUXBY-UHFFFAOYSA-N
Smiles Oc1c2c(cccc2S(=O)(=O)O)c(cc1)S(=O)(=O)O
InChI
InChI=1S/C10H8O7S2/c11-7-4-5-8(18(12,13)14)6-2-1-3-9(10(6)7)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8O7S2
Molecular Weight 303.97
AlogP 1.04
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 128.97
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 117-56-6
NORMAN SUSDAT
FDA SRS L6O8AVH6FU
PubChem 67023
ChemSpider 60376.0
CONTENTS