| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XLB6Y9C47T |
| EPA CompTox | DTXSID00234202 |
| InChI Key | ALHKAHMAUJFZGF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H13Cl1O4 |
| Molecular Weight | 244.05 |
| AlogP | 2.46 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 55.76 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 85098-93-7 |
| NORMAN SUSDAT | |
| FDA SRS | XLB6Y9C47T |
| PubChem | 56842385 |
| ChemSpider | 21164591.0 |