| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6A0988TW71 |
| EPA CompTox | DTXSID7042437 |
Structure
| InChI Key | WOZQBERUBLYCEG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7Cl2N1O2 |
| Molecular Weight | 218.99 |
| AlogP | 3.19 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 41.82 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1918-18-9 |
| NORMAN SUSDAT | |
| FDA SRS | 6A0988TW71 |
| PubChem | 15969 |
| ChemSpider | 15173.0 |
CONTENTS
