2,7-NAPHTHALENEDISULFONIC ACID, 4-HYDROXY-3-[[4-[(1-HYDROXY-4-SULFO-2-NAPHTHALENYL)AZO][1,1-BIPHENYL]-4-YL]AZO]-, TRISODIUM SALT

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

Structure

InChI Key RPRRBCWJGDNBAO-UHFFFAOYSA-N
Smiles CCc1ccccc1Nc2scc(n2)c3ccccn3
InChI
InChI=1S/C16H15N3S/c1-2-12-7-3-4-8-13(12)18-16-19-15(11-20-16)14-9-5-6-10-17-14/h3-11H,2H2,1H3,(H,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15N3S1
Molecular Weight 281.1
AlogP 3.93
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 41.04
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 6507-83-1
NORMAN SUSDAT
CONTENTS