| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JR4UC6K34H |
| EPA CompTox | DTXSID80186699 |
Structure
| InChI Key | SIJLYRDVTMMSIP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H9Br1O1 |
| Molecular Weight | 151.98 |
| AlogP | 1.15 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 33036-62-3 |
| NORMAN SUSDAT | |
| FDA SRS | JR4UC6K34H |
| PubChem | 118388 |
| ChemSpider | 72150.0 |
CONTENTS
