| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2PC0JJ594N |
| EPA CompTox | DTXSID7042017 |
| InChI Key | YDNLKBDXQCHOTH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H7Br1Cl1N1O2 |
| Molecular Weight | 310.93 |
| AlogP | 3.74 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 39.19 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 34462-96-9 |
| NORMAN SUSDAT | |
| FDA SRS | 2PC0JJ594N |
| PubChem | 114868 |
| ChemSpider | 19978541.0 |