| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | D205PC85RP |
| EPA CompTox | DTXSID10960060 |
| InChI Key | YLCDNDWOYHGDGP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H22O3 |
| Molecular Weight | 202.16 |
| AlogP | 2.54 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 3938-81-6 |
| NORMAN SUSDAT | |
| FDA SRS | D205PC85RP |
| PubChem | 77543 |