| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5CQ88I59ZI |
| EPA CompTox | DTXSID3046299 |
Structure
| InChI Key | NBFQYHKHPBMJJV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H13N1O2 |
| Molecular Weight | 179.09 |
| AlogP | 1.84 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.32 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94-12-2 |
| NORMAN SUSDAT | |
| FDA SRS | 5CQ88I59ZI |
| PubChem | 7174 |
| ChemSpider | 6906.0 |
CONTENTS
