| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 529VD83WPK |
| EPA CompTox | DTXSID7061279 |
| InChI Key | KFRVYYGHSPLXSZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H16O1 |
| Molecular Weight | 116.12 |
| AlogP | 2.21 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 919-94-8 |
| NORMAN SUSDAT | |
| FDA SRS | 529VD83WPK |
| PubChem | 13527 |
| ChemSpider | 12939.0 |