| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | SJY3YNQ3SI |
| EPA CompTox | DTXSID4041234 |
Structure
| InChI Key | LNLFLMCWDHZINJ-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11N3 |
| Molecular Weight | 161.1 |
| AlogP | 2.12 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 71.37 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1772-25-4 |
| NORMAN SUSDAT | |
| FDA SRS | SJY3YNQ3SI |
| ChemSpider | 14913.0 |
CONTENTS
