| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 06X1W46PYX |
| EPA CompTox | DTXSID4021844 |
Structure
| InChI Key | NRGGMCIBEHEAIL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9N1 |
| Molecular Weight | 107.07 |
| AlogP | 1.64 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.89 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 100-71-0 |
| NORMAN SUSDAT | |
| FDA SRS | 06X1W46PYX |
| PubChem | 7523 |
| ChemSpider | 7242.0 |
CONTENTS
