| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NO396R19PJ |
| EPA CompTox | DTXSID7052311 |
Structure
| InChI Key | PZHIWRCQKBBTOW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H14O1 |
| Molecular Weight | 102.1 |
| AlogP | 1.82 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 628-81-9 |
| NORMAN SUSDAT | |
| FDA SRS | NO396R19PJ |
| PubChem | 12355 |
| ChemSpider | 11849.0 |
CONTENTS
