| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90234594 |
Structure
| InChI Key | NIIUJQKKZSKFSS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H11N1O3 |
| Molecular Weight | 145.07 |
| AlogP | -0.53 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 69.39 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85392-54-7 |
| NORMAN SUSDAT | |
| PubChem | 3020677 |
| ChemSpider | 2287508.0 |
CONTENTS
