| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KD3EGS6MXB |
| EPA CompTox | DTXSID00187481 |
Structure
| InChI Key | RULWBFLPUAFFGY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9N1O2 |
| Molecular Weight | 151.06 |
| AlogP | 1.06 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 64.31 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 33832-98-3 |
| NORMAN SUSDAT | |
| FDA SRS | KD3EGS6MXB |
| PubChem | 99176 |
| ChemSpider | 89109.0 |
CONTENTS
