| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60233514 |
| InChI Key | BNLAQGDMOYPYQZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C28H26N2O9 |
| Molecular Weight | 534.16 |
| AlogP | 2.7 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 157.07 |
| Heavy Atoms | 39.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 84522-13-4 |
| NORMAN SUSDAT | |
| PubChem | 4168207 |
| ChemSpider | 3379736.0 |