Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70909213

Structure

InChI Key JKYNCKNIVHDOKU-BQBZGAKWSA-N
Smiles O=C1NCC2CCCCC12
InChI
InChI=1/C8H13NO/c10-8-7-4-2-1-3-6(7)5-9-8/h6-7H,1-5H2,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H13NO
Molecular Weight 139.1
AlogP 1.76
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 32.59
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 10479-68-2
NORMAN SUSDAT
PubChem 13039545