| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID8067492 |
| InChI Key | CZHGDRKVHVTOQZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C22H24N6O5 |
| Molecular Weight | 452.18 |
| AlogP | 4.59 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 141.07 |
| Heavy Atoms | 33.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 29649-48-7 |
| NORMAN SUSDAT | |
| PubChem | 122441 |
| ChemSpider | 109167.0 |