| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20199440 |
| InChI Key | UKRUVKDTLCRXNL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C17H12Br1N3O2 |
| Molecular Weight | 369.01 |
| AlogP | 3.74 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 66.06 |
| Heavy Atoms | 23.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 51461-22-4 |
| NORMAN SUSDAT | |
| PubChem | 1108211 |
| ChemSpider | 944337.0 |