| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HS4BM7QJE4 |
| EPA CompTox | DTXSID30156741 |
Structure
| InChI Key | RZBOMSOHMOVUES-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10Cl1N1 |
| Molecular Weight | 155.05 |
| AlogP | 1.84 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 26.02 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13078-80-3 |
| NORMAN SUSDAT | |
| FDA SRS | HS4BM7QJE4 |
| PubChem | 83117 |
| ChemSpider | 74986.0 |
CONTENTS
