| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 80CZF4GX8N |
| EPA CompTox | DTXSID50227629 |
Structure
| InChI Key | CLAOCVVWIKGTOP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11N1O2 |
| Molecular Weight | 165.08 |
| AlogP | 1.65 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 39.19 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7681-15-4 |
| NORMAN SUSDAT | |
| FDA SRS | 80CZF4GX8N |
| PubChem | 24331 |
| ChemSpider | 22749.0 |
CONTENTS
