| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80229333 |
| InChI Key | LSKTUJWYWKWXJP-KJCFRMDSSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C18H36N2O12 |
| Molecular Weight | 472.23 |
| AlogP | -4.67 |
| Hydrogen Bond Acceptor | 12.0 |
| Hydrogen Bond Donor | 12.0 |
| Number of Rotational Bond | 17.0 |
| Polar Surface Area | 267.48 |
| Heavy Atoms | 32.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 78841-03-9 |
| NORMAN SUSDAT | |
| PubChem | 10322568 |
| ChemSpider | 8498032.0 |