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

Structure

InChI Key HFLFOKWCOBDTCH-UHFFFAOYSA-N
Smiles [H+].[Cl-].COC(=O)C(N)c1ccc(O)cc1O
InChI
InChI=1S/C9H11NO4/c1-14-9(13)8(10)6-3-2-5(11)4-7(6)12/h2-4,8,11-12H,10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11N1O4
Molecular Weight 197.07
AlogP 0.27
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 92.78
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 67828-67-5
NORMAN SUSDAT