| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | GKH2KOV2RF |
| EPA CompTox | DTXSID1045906 |
Structure
| InChI Key | XOZLRRYPUKAKMU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H19N3O1 |
| Molecular Weight | 245.15 |
| AlogP | 2.3 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 38.96 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3615-24-5 |
| NORMAN SUSDAT | |
| FDA SRS | GKH2KOV2RF |
| PubChem | 5037 |
| ChemSpider | 4861.0 |
CONTENTS
