| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6067042 |
Structure
| InChI Key | SPMALVQSPLOCPK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10O3 |
| Molecular Weight | 142.06 |
| AlogP | 0.69 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 25016-79-9 |
| NORMAN SUSDAT | |
| PubChem | 91251 |
| ChemSpider | 82400.0 |
CONTENTS
