| Keyword(s): | Human Neurotoxin |
| Molecule Category | Free-form |
| UNII | 76H78MJJ52 |
| EPA CompTox | DTXSID9023708 |
Structure
| InChI Key | ZZHLYYDVIOPZBE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H22N2S1 |
| Molecular Weight | 298.15 |
| AlogP | 4.49 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 6.48 |
| Heavy Atoms | 21.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 84-96-8 |
| NORMAN SUSDAT | |
| FDA SRS | 76H78MJJ52 |
| PubChem | 5574 |
| ChemSpider | 5373.0 |
CONTENTS
