| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | MVCCPHIOCLZPGZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H10Br4O4S1 |
| Molecular Weight | 589.7 |
| AlogP | 5.59 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 23.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 70156-79-5 |
| NORMAN SUSDAT | |
| PubChem | 2302732 |
| ChemSpider | 1721652.0 |
CONTENTS
