Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30996169

Structure

InChI Key OKUWOEKJQRUMBW-UHFFFAOYSA-N
Smiles O(C)CCOCCOCCN
InChI
InChI=1/C7H17NO3/c1-9-4-5-11-7-6-10-3-2-8/h2-8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H17NO3
Molecular Weight 163.12
AlogP -0.38
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 53.71
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 74654-07-2
NORMAN SUSDAT
PubChem 3018531