| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7BF49L8BR5 |
| EPA CompTox | DTXSID50179194 |
Structure
| InChI Key | IUJAAIZKRJJZGQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7Cl1O2 |
| Molecular Weight | 170.01 |
| AlogP | 1.97 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2444-36-2 |
| NORMAN SUSDAT | |
| FDA SRS | 7BF49L8BR5 |
| PubChem | 17124 |
| ChemSpider | 16208.0 |
CONTENTS
