| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID7068059 |
| InChI Key | GMEGSBXYAAPXTD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C18H16Cl1N7O6 |
| Molecular Weight | 461.09 |
| AlogP | 5.51 |
| Hydrogen Bond Acceptor | 10.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 188.64 |
| Heavy Atoms | 32.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 37984-46-6 |
| NORMAN SUSDAT | |
| PubChem | 162281 |
| ChemSpider | 142506.0 |