| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID0070443 |
| InChI Key | KHMGYVWUOXVNNR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C28H18N2O2S2 |
| Molecular Weight | 478.08 |
| AlogP | 6.48 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 58.86 |
| Heavy Atoms | 34.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 66214-56-0 |
| NORMAN SUSDAT | |
| PubChem | 3034770 |
| ChemSpider | 2299179.0 |