| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7ZY86LAO89 |
| EPA CompTox | DTXSID7064237 |
Structure
| InChI Key | IOFHIWGGQITXMV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H11N1O1 |
| Molecular Weight | 161.08 |
| AlogP | 2.12 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 33.02 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6328-48-9 |
| NORMAN SUSDAT | |
| FDA SRS | 7ZY86LAO89 |
| PubChem | 80620 |
| ChemSpider | 72809.0 |
CONTENTS
