Keyword(s): | Human Metabolites |
Molecule Category | Free-form |
EPA CompTox | DTXSID80916771 |
InChI Key | GNSQRKVWTFNFIY-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C13H21NO3 | |
Molecular Weight | 239.15 | |
AlogP | 1.27 | |
Hydrogen Bond Acceptor | 4.0 | |
Hydrogen Bond Donor | 3.0 | |
Number of Rotational Bond | 5.0 | |
Polar Surface Area | 63.93 | |
Molecular species | None | |
Aromatic Rings | 1.0 | |
Heavy Atoms | 17.0 |
Resources | Reference | |
---|---|---|
CAS NUMBER | 93981-17-0 | |
NORMAN SUSDAT | ||
PubChem | 3023156 |