Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10217147

Structure

InChI Key BJUOQSZSDIHZNP-UHFFFAOYSA-N
Smiles C1COCCOCCOCCOCC[NH2+]1
InChI
InChI=1S/C10H21NO4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21N1O4
Molecular Weight 219.15
AlogP -0.34
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Polar Surface Area 48.95
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 66943-05-3
NORMAN SUSDAT
PubChem 544820
ChemSpider 474209.0