| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID1070480 |
| InChI Key | YAOMDDRLRVOOIC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C22H23N5O6 |
| Molecular Weight | 453.16 |
| AlogP | 4.12 |
| Hydrogen Bond Acceptor | 10.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 147.49 |
| Heavy Atoms | 33.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 66882-16-4 |
| NORMAN SUSDAT | |
| PubChem | 105388 |
| ChemSpider | 95051.0 |