| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | T3APV34UE5 |
| EPA CompTox | DTXSID80228982 |
| InChI Key | AADKOQARFMAFHR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H22N18 |
| Molecular Weight | 430.23 |
| AlogP | -5.96 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 14.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 310.8 |
| Heavy Atoms | 31.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 78326-97-3 |
| NORMAN SUSDAT | |
| FDA SRS | T3APV34UE5 |
| PubChem | 11970649 |
| ChemSpider | 10144032.0 |