| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70589630 |
| InChI Key | GWYKHOLLVPAQFF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H9Cl1N2O3 |
| Molecular Weight | 264.03 |
| AlogP | 3.22 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 65.26 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 179687-79-7 |
| NORMAN SUSDAT | |
| PubChem | 17469433 |
| ChemSpider | 11096729.0 |