4-[(2,4-DIHYDROXYPHENYL)AZO]BENZENESULPHONIC ACID

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

Structure

InChI Key MHKGJUOEEHNBLE-UHFFFAOYSA-N
Smiles Oc2cc(O)ccc2N=Nc1ccc(cc1)S(O)(=O)=O
InChI
InChI=1/C12H10N2O5S/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19/h1-7,15-16H,(H,17,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H10N2O5S
Molecular Weight 294.03
AlogP 2.76
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 119.55
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 2050-34-2
NORMAN SUSDAT
CONTENTS