| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 25DEK56Z7Z |
| EPA CompTox | DTXSID501311639 |
Structure
| InChI Key | DZOOROWXIIPFGA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H20O3 |
| Molecular Weight | 188.14 |
| AlogP | 1.88 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7249-54-9 |
| NORMAN SUSDAT | |
| FDA SRS | 25DEK56Z7Z |
| PubChem | 97913 |
CONTENTS
