| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7S6MQK585J |
| EPA CompTox | DTXSID3073713 |
| InChI Key | PKFBISBCCISXKA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10O2 |
| Molecular Weight | 126.07 |
| AlogP | 1.64 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 93942-70-2 |
| NORMAN SUSDAT | |
| FDA SRS | 7S6MQK585J |
| PubChem | 163618 |
| ChemSpider | 143517.0 |