7,7'-(CARBONYLDIIMINO)BIS[4-HYDROXY-3-(PHENYLAZO)NAPHTHALENE-2-SULPHONIC] ACID

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key XKNUVBQTZXGYHL-UHFFFAOYSA-N
Smiles OS(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccccc5)c6O)S(O)(=O)=O
InChI
InChI=1/C33H24N6O9S2/c40-31-25-13-11-23(15-19(25)17-27(49(43,44)45)29(31)38-36-21-7-3-1-4-8-21)34-33(42)35-24-12-14-26-20(16-24)18-28(50(46,47)48)30(32(26)41)39-37-22-9-5-2-6-10-22/h1-18,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48)

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H24N6O9S2
Molecular Weight 712.1
AlogP 8.37
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 8.0
Polar Surface Area 239.77
Heavy Atoms 50.0

Cross References

Resources Reference
CAS NUMBER 25188-23-2
NORMAN SUSDAT
CONTENTS