Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60888886

Structure

InChI Key XHCXVEOOEJMFIP-UHFFFAOYSA-N
Smiles OCCOCCN1CC2CCC1C2
InChI
InChI=1S/C10H19NO2/c12-4-6-13-5-3-11-8-9-1-2-10(11)7-9/h9-10,12H,1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H19N1O2
Molecular Weight 185.14
AlogP 0.48
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 32.7
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 116230-20-7
NORMAN SUSDAT
PubChem 19854916
ChemSpider 14626738.0