| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MTB8K2EK3L |
| EPA CompTox | DTXSID7066859 |
Structure
| InChI Key | YDFAJMDFCCJZSI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H17Cl1O1 |
| Molecular Weight | 164.1 |
| AlogP | 2.56 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 23144-52-7 |
| NORMAN SUSDAT | |
| FDA SRS | MTB8K2EK3L |
| PubChem | 90012 |
| ChemSpider | 81258.0 |
CONTENTS
