| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60385022 |
| InChI Key | FVQVKYBLTAVZLW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H12Cl1N3O4 |
| Molecular Weight | 309.05 |
| AlogP | 1.42 |
| Hydrogen Bond Acceptor | 7.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 83.31 |
| Heavy Atoms | 21.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 114462-77-0 |
| NORMAN SUSDAT | |
| PubChem | 2825088 |
| ChemSpider | 2103262.0 |