| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9N0S26G61J |
| EPA CompTox | DTXSID2074407 |
| InChI Key | JODRRPJMQDFCBJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8O2 |
| Molecular Weight | 136.05 |
| AlogP | 1.51 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 698-27-1 |
| NORMAN SUSDAT | |
| FDA SRS | 9N0S26G61J |
| PubChem | 61200 |
| ChemSpider | 55144.0 |