DISODIUM 4,4'-DIAZIDOSTILBENE-2,2'-DISULPHONATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID60889459

Structure

InChI Key HYYYTIDWAIQGHI-SEPHDYHBSA-L
Smiles [Na+].[Na+].[N-]=[N+]=NC1=CC=C(C=CC2=CC=C(N=[N+]=[N-])C=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]
InChI
InChI=1/C14H10N6O6S2.2Na/c15-19-17-11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(18-20-16)8-14(10)28(24,25)26;;/h1-8H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12N6O6S2
Molecular Weight 465.97
AlogP -4.57
Hydrogen Bond Acceptor 9.0
Number of Rotational Bond 4.0
Polar Surface Area 201.93
Heavy Atoms 30.0

Cross References

Resources Reference
CAS NUMBER 2718-90-3
NORMAN SUSDAT
CONTENTS