| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QH3S4XL5PI |
| EPA CompTox | DTXSID6049018 |
Structure
| InChI Key | LNBQBURECUEBKZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H7Cl1O4 |
| Molecular Weight | 166.0 |
| AlogP | -0.06 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 28868-76-0 |
| NORMAN SUSDAT | |
| FDA SRS | QH3S4XL5PI |
| PubChem | 120070 |
| ChemSpider | 107192.0 |
CONTENTS
