| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | GBT9LV0NVR |
| EPA CompTox | DTXSID0062262 |
Structure
| InChI Key | AKEYUWUEAXIBTF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H11N1 |
| Molecular Weight | 157.09 |
| AlogP | 2.88 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.03 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2216-68-4 |
| NORMAN SUSDAT | |
| FDA SRS | GBT9LV0NVR |
| PubChem | 16667 |
| ChemSpider | 15804.0 |
CONTENTS
