| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | N6B9YWM4XU |
| EPA CompTox | DTXSID5060514 |
Structure
| InChI Key | SZTBMYHIYNGYIA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H3Cl1O2 |
| Molecular Weight | 105.98 |
| AlogP | 0.82 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 598-79-8 |
| NORMAN SUSDAT | |
| FDA SRS | N6B9YWM4XU |
| PubChem | 11735 |
| ChemSpider | 11242.0 |
CONTENTS
