| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID7068631 |
Structure
| InChI Key | OTUSESJECXGMIV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H21Cl1O1 |
| Molecular Weight | 192.13 |
| AlogP | 3.34 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 51309-10-5 |
| NORMAN SUSDAT | |
| PubChem | 123526 |
| ChemSpider | 110121.0 |
CONTENTS
