| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | AB2T8N4T4C |
| EPA CompTox | DTXSID50168427 |
| InChI Key | CAYQIZIAYYNFCS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6B1Cl1O2 |
| Molecular Weight | 156.01 |
| AlogP | 0.02 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1679-18-1 |
| NORMAN SUSDAT | |
| FDA SRS | AB2T8N4T4C |
| PubChem | 74299 |
| ChemSpider | 66902.0 |