| Keyword(s): | Human Neurotoxin |
| Molecule Category | Salt-form |
| UNII | TWC1D4W0WB |
| EPA CompTox | DTXSID30212972 |
Structure
| InChI Key | MLACDGUOKDOLGC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12BrNO3 |
| Molecular Weight | 249.0 |
| AlogP | 0.88 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 86.71 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 636-00-0 |
| NORMAN SUSDAT | |
| FDA SRS | TWC1D4W0WB |
CONTENTS
