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

Structure

InChI Key ATGSLQBVSZNJMT-UHFFFAOYSA-N
Smiles [Cl-].ClCCCC(Cl)C[NH3+]
InChI
InChI=1/C5H11Cl2N.ClH/c6-3-1-2-5(7)4-8;/h5H,1-4,8H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11Cl2N
Molecular Weight 191.0
AlogP 1.99
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 26.02
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 62922-45-6
NORMAN SUSDAT
PubChem 533936