3,6-PYRIDAZINEDIONE, 4-CHLORO-1,2-DIHYDRO-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J56WPC7HET
EPA CompTox DTXSID8073348

Structure

InChI Key WNPMDHKYJTZOFF-UHFFFAOYSA-N
Smiles Clc1cc(=O)[nH][nH]c1=O
InChI
InChI=1S/C4H3ClN2O2/c5-2-1-3(8)6-7-4(2)9/h1H,(H,6,8)(H,7,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H3Cl1N2O2
Molecular Weight 145.99
AlogP 0.54
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Polar Surface Area 66.24
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 5397-64-8
NORMAN SUSDAT
FDA SRS J56WPC7HET
PubChem 79382
ChemSpider 71701.0
CONTENTS