| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6069872 |
| InChI Key | VNAXPGFEMFHYOF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C22H23Cl1N6O5 |
| Molecular Weight | 486.14 |
| AlogP | 5.25 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 141.07 |
| Heavy Atoms | 34.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 63467-18-5 |
| NORMAN SUSDAT | |
| PubChem | 113254 |
| ChemSpider | 101501.0 |