| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | T96D49XD9H |
| EPA CompTox | DTXSID6062593 |
Structure
| InChI Key | NMFFUUFPJJOWHK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H11N1O1 |
| Molecular Weight | 185.08 |
| AlogP | 3.06 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 35.25 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2688-84-8 |
| NORMAN SUSDAT | |
| FDA SRS | T96D49XD9H |
| PubChem | 75899 |
| ChemSpider | 68404.0 |
CONTENTS
