Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID60961643

Structure

InChI Key JLBJGYHSFYAUDJ-UHFFFAOYSA-N
Smiles Cl.O=C1CN(CC)CCC1
InChI
InChI=1/C7H13NO.ClH/c1-2-8-5-3-4-7(9)6-8;/h2-6H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13NO
Molecular Weight 163.08
AlogP 1.09
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 20.31
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 41361-28-8
NORMAN SUSDAT
PubChem 433439