| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MFZ4UM4JAH |
| EPA CompTox | DTXSID60209451 |
| InChI Key | JWTDUUYINZWIBA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H21N5O2 |
| Molecular Weight | 375.17 |
| AlogP | 4.49 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 81.19 |
| Heavy Atoms | 28.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 60640-92-8 |
| NORMAN SUSDAT | |
| FDA SRS | MFZ4UM4JAH |
| PubChem | 108981 |
| ChemSpider | 98004.0 |