| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID1060182 |
Structure
| InChI Key | JDQNYWYMNFRKNQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H11N1 |
| Molecular Weight | 121.09 |
| AlogP | 1.95 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.89 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 529-21-5 |
| NORMAN SUSDAT | |
| PubChem | 68254 |
| ChemSpider | 13839260.0 |
CONTENTS
