| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | GHU78X3G8U |
| EPA CompTox | DTXSID2063507 |
| InChI Key | BUHYMJLFRZAFBF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H11Cl1O4 |
| Molecular Weight | 230.03 |
| AlogP | 2.09 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 44.76 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 4521-61-3 |
| NORMAN SUSDAT | |
| FDA SRS | GHU78X3G8U |
| PubChem | 78282 |
| ChemSpider | 70654.0 |