2,4(1H,3H)-PYRIMIDINEDIONE, 6-CHLORO-3-METHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AYQ4JL346J
EPA CompTox DTXSID00195763

Structure

InChI Key SGLXGFAZAARYJY-UHFFFAOYSA-N
Smiles Cn1c(=O)[nH]c(Cl)cc1=O
InChI
InChI=1S/C5H5ClN2O2/c1-8-4(9)2-3(6)7-5(8)10/h2H,1H3,(H,7,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5Cl1N2O2
Molecular Weight 160.0
AlogP 0.14
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Polar Surface Area 55.12
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 4318-56-3
NORMAN SUSDAT
FDA SRS AYQ4JL346J
PubChem 96141
ChemSpider 86785.0
CONTENTS