| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60868860 |
Structure
| InChI Key | CDUMXRCATAAWBT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H24O2 |
| Molecular Weight | 188.18 |
| AlogP | 3.07 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85136-40-9 |
| NORMAN SUSDAT | |
| PubChem | 3020407 |
CONTENTS
