| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2LAL276UYP |
| EPA CompTox | DTXSID30199936 |
Structure
| InChI Key | KECMLGZOQMJIBM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H13Cl1O3 |
| Molecular Weight | 168.06 |
| AlogP | 0.25 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 38.69 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5197-62-6 |
| NORMAN SUSDAT | |
| FDA SRS | 2LAL276UYP |
| PubChem | 78871 |
| ChemSpider | 71206.0 |
CONTENTS
