| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X4ELC182I5 |
| EPA CompTox | DTXSID8060400 |
Structure
| InChI Key | AQIXEPGDORPWBJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H12O1 |
| Molecular Weight | 88.09 |
| AlogP | 1.17 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 584-02-1 |
| NORMAN SUSDAT | |
| FDA SRS | X4ELC182I5 |
| PubChem | 11428 |
| ChemSpider | 10947.0 |
CONTENTS
