Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID8064480

Structure

InChI Key QGOUKZPSCTVYLX-UHFFFAOYSA-N
Smiles Clc1ncn[nH]1
InChI
InChI=1S/C2H2ClN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H2Cl1N3
Molecular Weight 102.99
AlogP 0.46
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 41.57
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 6818-99-1
NORMAN SUSDAT
PubChem 81265
ChemSpider 17207851.0