| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90239842 |
Structure
| InChI Key | XPBFRLBRISUWSP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H24O1 |
| Molecular Weight | 196.18 |
| AlogP | 4.08 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 93892-50-3 |
| NORMAN SUSDAT | |
| PubChem | 3022781 |
| ChemSpider | 2289196.0 |
CONTENTS
