| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8GY4PM962I |
| EPA CompTox | DTXSID1058925 |
| InChI Key | RITAQDHCJBLSSL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H8Cl1N1O5 |
| Molecular Weight | 305.01 |
| AlogP | 3.18 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 97.51 |
| Heavy Atoms | 21.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 85-54-1 |
| NORMAN SUSDAT | |
| FDA SRS | 8GY4PM962I |
| PubChem | 66562 |
| ChemSpider | 59932.0 |