| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID0072801 |
| InChI Key | IYVJKFRNPLTKPN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C22H23N7O3 |
| Molecular Weight | 433.19 |
| AlogP | 5.99 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 151.27 |
| Heavy Atoms | 32.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 75125-56-3 |
| NORMAN SUSDAT | |
| PubChem | 166448 |
| ChemSpider | 145688.0 |