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

Structure

InChI Key UCTWMZQNUQWSLP-SECBINFHSA-N
Smiles CNC[C@@H](O)c1ccc(O)c(O)c1
InChI
InChI=1/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13NO3
Molecular Weight 183.09
AlogP 0.35
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 72.72
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 150-05-0
NORMAN SUSDAT