| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6069084 |
| InChI Key | ZGEDNLYBHOQTOJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H21Cl1N6O8 |
| Molecular Weight | 496.11 |
| AlogP | 3.98 |
| Hydrogen Bond Acceptor | 11.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 196.52 |
| Heavy Atoms | 34.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 56149-93-0 |
| NORMAN SUSDAT | |
| PubChem | 92033 |
| ChemSpider | 83096.0 |