| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 79P6KS9Y5Z |
| EPA CompTox | DTXSID0041357 |
| InChI Key | OPCRGEVPIBLWAY-QNRZBPGKSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.15 |
| AlogP | 3.24 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 3025-30-7 |
| NORMAN SUSDAT | |
| FDA SRS | 79P6KS9Y5Z |
| PubChem | 5281162 |
| ChemSpider | 4444602.0 |