| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | P63ZRN924Q |
| EPA CompTox | DTXSID00152139 |
Structure
| InChI Key | XRMVWAKMXZNZIL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H14O1 |
| Molecular Weight | 102.1 |
| AlogP | 1.41 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1185-33-7 |
| NORMAN SUSDAT | |
| FDA SRS | P63ZRN924Q |
| PubChem | 14454 |
| ChemSpider | 13801.0 |
CONTENTS
