| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00197267 |
| InChI Key | BKHHMEFQCZTOSJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C28H29N1O5 |
| Molecular Weight | 459.2 |
| AlogP | 5.31 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 81.7 |
| Heavy Atoms | 34.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 47749-96-2 |
| NORMAN SUSDAT | |
| PubChem | 6452097 |
| ChemSpider | 4954538.0 |