Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID10986104

Structure

InChI Key QQEFVDXETIPWFQ-UHFFFAOYSA-N
Smiles Cl.O=C(OC)CN1CCOCC1
InChI
InChI=1/C7H13NO3.ClH/c1-10-7(9)6-8-2-4-11-5-3-8;/h2-6H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13NO3
Molecular Weight 195.07
AlogP -0.09
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 38.77
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 67067-94-1
NORMAN SUSDAT
PubChem 1268178