Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 386QR22KDZ
EPA CompTox DTXSID40201716

Structure

InChI Key QAJYCQZQLVENRZ-UHFFFAOYSA-N
Smiles Nc1cnc(Cl)cc1
InChI
InChI=1S/C5H5ClN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5Cl1N2
Molecular Weight 128.01
AlogP 1.32
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 38.91
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 5350-93-6
NORMAN SUSDAT
FDA SRS 386QR22KDZ
PubChem 79305
ChemSpider 59561.0