Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII YYQ1H343R5
EPA CompTox DTXSID8022248

Structure

InChI Key FSNGFFWICFYWQC-UHFFFAOYSA-N
Smiles Cl.ClCCN1CCCC1
InChI
InChI=1/C6H12ClN.ClH/c7-3-6-8-4-1-2-5-8;/h1-6H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12ClN
Molecular Weight 169.04
AlogP 1.74
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 3.24
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 7250-67-1
NORMAN SUSDAT
FDA SRS YYQ1H343R5
PubChem 81669