Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID8071065

Structure

InChI Key DORXJCORWAVZTD-UHFFFAOYSA-N
Smiles CN(CCO)C(=O)CCCO
InChI
InChI=1S/C7H15NO3/c1-8(4-6-10)7(11)3-2-5-9/h9-10H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N1O3
Molecular Weight 161.11
AlogP -0.79
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 60.77
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 68083-83-0
NORMAN SUSDAT
PubChem 106524
ChemSpider 73186.0