| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 33306K781F |
| EPA CompTox | DTXSID3041617 |
| InChI Key | MCOQHIWZJUDQIC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H9Cl2N1O2 |
| Molecular Weight | 257.0 |
| AlogP | 3.14 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 41.82 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 101-27-9 |
| NORMAN SUSDAT | |
| FDA SRS | 33306K781F |
| PubChem | 7551 |
| ChemSpider | 7270.0 |