| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6069117 |
| InChI Key | QRKGKRSGMAWUMO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H21Br1N6O6 |
| Molecular Weight | 508.07 |
| AlogP | 6.14 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 156.06 |
| Heavy Atoms | 32.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 56548-64-2 |
| NORMAN SUSDAT | |
| PubChem | 92446 |
| ChemSpider | 83464.0 |