| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00194397 |
Structure
| InChI Key | UKTIMFAJRPSNGR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H3Br1Cl1N1O2 |
| Molecular Weight | 234.9 |
| AlogP | 3.01 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 41513-04-6 |
| NORMAN SUSDAT | |
| PubChem | 2794904 |
| ChemSpider | 120717.0 |
CONTENTS
