| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID2069446 |
| InChI Key | FOVVNVHNNGUMFG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H23N5O1S1 |
| Molecular Weight | 381.16 |
| AlogP | 5.22 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 73.97 |
| Heavy Atoms | 27.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 61049-90-9 |
| NORMAN SUSDAT | |
| PubChem | 109044 |
| ChemSpider | 98061.0 |