| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID8072873 |
| InChI Key | KEMVMBHOGQWFSN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C18H20Cl1N5O6 |
| Molecular Weight | 437.11 |
| AlogP | 5.44 |
| Hydrogen Bond Acceptor | 9.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 132.7 |
| Heavy Atoms | 30.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 81711-69-5 |
| NORMAN SUSDAT | |
| PubChem | 174245 |
| ChemSpider | 152016.0 |