| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | H2FKY88FCN |
| EPA CompTox | DTXSID201002873 |
| InChI Key | QANVLXVFIRTXFG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10BrN2O4 |
| Molecular Weight | 287.97 |
| AlogP | 2.12 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 95.46 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 82760-42-7 |
| NORMAN SUSDAT | |
| FDA SRS | H2FKY88FCN |
| PubChem | 3019079 |