| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID8071512 |
| InChI Key | BDAQFSJXVZDVGC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H23Cl1N4O6 |
| Molecular Weight | 462.13 |
| AlogP | 4.9 |
| Hydrogen Bond Acceptor | 9.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 123.7 |
| Heavy Atoms | 32.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68413-42-3 |
| NORMAN SUSDAT | |
| PubChem | 110205 |
| ChemSpider | 98954.0 |