| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID3069229 |
| InChI Key | BUXMFCOMCSLYMY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H16Cl2N4O4 |
| Molecular Weight | 398.05 |
| AlogP | 4.11 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 111.56 |
| Heavy Atoms | 26.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 58104-46-4 |
| NORMAN SUSDAT | |
| PubChem | 93955 |
| ChemSpider | 84795.0 |