1,2-DIHYDRO-1-PHENYLPYRIDAZINE-3,6-DIONE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E4SVY3FH68
EPA CompTox DTXSID20168752

Structure

InChI Key KJEBAQNNTMWJJI-UHFFFAOYSA-N
Smiles O=c1[nH]n(c(=O)cc1)c1ccccc1
InChI
InChI=1S/C10H8N2O2/c13-9-6-7-10(14)12(11-9)8-4-2-1-3-5-8/h1-7H,(H,11,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8N2O2
Molecular Weight 188.06
AlogP 0.94
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 55.12
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 1698-54-0
NORMAN SUSDAT
FDA SRS E4SVY3FH68
PubChem 74333
ChemSpider 66929.0
CONTENTS