Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID50145612

Structure

InChI Key GUPOZVHRTJYZCX-UHFFFAOYSA-N
Smiles Cl.ClCC(=N)N
InChI
InChI=1/C2H5ClN2.ClH/c3-1-2(4)5;/h1H2,(H3,4,5);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H5ClN2
Molecular Weight 127.99
AlogP 0.58
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 49.87
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 10300-69-3
NORMAN SUSDAT
PubChem 35602