Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID00991924

Structure

InChI Key NMAACQILAGCQPR-UHFFFAOYSA-N
Smiles Cl.O=C(OC)C1C(=O)CCNC1
InChI
InChI=1/C7H11NO3.ClH/c1-11-7(10)5-4-8-3-2-6(5)9;/h5,8H,2-4H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11NO3
Molecular Weight 193.05
AlogP -0.24
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 55.4
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 71486-53-8
NORMAN SUSDAT
PubChem 2724029