| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9U3DWK37HQ |
| EPA CompTox | DTXSID20174510 |
Structure
| InChI Key | NPQPNSNHYJTUSA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H22O1 |
| Molecular Weight | 158.17 |
| AlogP | 3.12 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2051-32-3 |
| NORMAN SUSDAT | |
| FDA SRS | 9U3DWK37HQ |
| PubChem | 74917 |
| ChemSpider | 67478.0 |
CONTENTS
