| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ZQ2JCG2ZDG |
| EPA CompTox | DTXSID20204381 |
Structure
| InChI Key | JNOZGFXJZQXOSU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H9Cl1O1 |
| Molecular Weight | 108.03 |
| AlogP | 1.0 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 558-42-9 |
| NORMAN SUSDAT | |
| FDA SRS | ZQ2JCG2ZDG |
| PubChem | 68409 |
| ChemSpider | 61692.0 |
CONTENTS
