| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KUY8BW2LP3 |
| EPA CompTox | DTXSID40234322 |
Structure
| InChI Key | NKPXTNPNZFWDCL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H18O3 |
| Molecular Weight | 162.13 |
| AlogP | 1.42 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 27.69 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85168-87-2 |
| NORMAN SUSDAT | |
| FDA SRS | KUY8BW2LP3 |
| PubChem | 3020468 |
| ChemSpider | 2287352.0 |
CONTENTS
