DISODIUM 2-(1,3-DIHYDRO-3-OXO-7-SULPHONATO-2H-INDOL-2-YLIDENE)-3-OXOINDOLINE-5-SULPHONATE

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

Structure

InChI Key QVTMQQLVIHWZOG-UHFFFAOYSA-L
Smiles [Na+].[Na+].O=C1C2=CC=CC(=C2NC1=C3NC4=CC=C(C=C4C3=O)S(=O)(=O)[O-])S(=O)(=O)[O-]
InChI
InChI=1/C16H10N2O8S2.2Na/c19-15-8-2-1-3-11(28(24,25)26)12(8)18-14(15)13-16(20)9-6-7(27(21,22)23)4-5-10(9)17-13;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H10N2O8S2
Molecular Weight 465.95
AlogP -5.37
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 172.6
Heavy Atoms 30.0

Cross References

Resources Reference
CAS NUMBER 27414-68-2
NORMAN SUSDAT
CONTENTS