| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BT623LZM9U |
| EPA CompTox | DTXSID0065771 |
Structure
| InChI Key | KJRCHILWKQLEBC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9N1O3 |
| Molecular Weight | 167.06 |
| AlogP | 1.92 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 63.37 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14452-34-7 |
| NORMAN SUSDAT | |
| FDA SRS | BT623LZM9U |
| PubChem | 84450 |
| ChemSpider | 76179.0 |
CONTENTS
