| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | WC7BG4ZDJ5 |
| EPA CompTox | DTXSID80181442 |
Structure
| InChI Key | OVNYWIYYPXSYKH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11N3 |
| Molecular Weight | 161.1 |
| AlogP | 1.52 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 47.85 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 26955-79-3 |
| NORMAN SUSDAT | |
| FDA SRS | WC7BG4ZDJ5 |
| PubChem | 427104 |
| ChemSpider | 377854.0 |
CONTENTS
