| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ZKT57P3QLR |
| EPA CompTox | DTXSID10205180 |
Structure
| InChI Key | IJXJGQCXFSSHNL-QMMMGPOBSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H11N1O1 |
| Molecular Weight | 137.08 |
| AlogP | 0.68 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 46.25 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 56613-80-0 |
| NORMAN SUSDAT | |
| FDA SRS | ZKT57P3QLR |
| PubChem | 2724025 |
| ChemSpider | 28975.0 |
CONTENTS
