| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90396040 |
| InChI Key | JXYITCJMBRETQX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N1 |
| Molecular Weight | 117.06 |
| AlogP | 1.25 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 26.02 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 14235-81-5 |
| NORMAN SUSDAT | |
| PubChem | 3760025 |
| ChemSpider | 2989097.0 |