Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID30974129

Structure

InChI Key YLTCHMNOGUJLDL-UHFFFAOYSA-M
Smiles [Cl-].ClC=[N+]1CCCCCC1
InChI
InChI=1/C7H13ClN.ClH/c8-7-9-5-3-1-2-4-6-9;/h7H,1-6H2;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13ClN
Molecular Weight 181.04
AlogP -1.82
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 3.24
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 58570-32-4
NORMAN SUSDAT
PubChem 6453652