| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 20VJ8H4MNI |
| EPA CompTox | DTXSID70230776 |
| InChI Key | PVHUJELLJLJGLN-MRXNPFEDSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C18H20N2O6 |
| Molecular Weight | 360.13 |
| AlogP | 2.57 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 107.77 |
| Heavy Atoms | 26.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 80890-07-9 |
| NORMAN SUSDAT | |
| FDA SRS | 20VJ8H4MNI |
| PubChem | 157704 |
| ChemSpider | 138770.0 |