| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9NHX6V19XI |
| EPA CompTox | DTXSID30863009 |
Structure
| InChI Key | VSCUCHUDCLERMY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H14O |
| Molecular Weight | 102.1 |
| AlogP | 1.82 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2679-87-0 |
| NORMAN SUSDAT | |
| FDA SRS | 9NHX6V19XI |
| PubChem | 17586 |
CONTENTS
