| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S2ULN37C9R |
| EPA CompTox | DTXSID2072881 |
Structure
| InChI Key | VLDFMKOUUQYFGF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H18O3 |
| Molecular Weight | 210.13 |
| AlogP | 2.72 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 38.69 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 82654-98-6 |
| NORMAN SUSDAT | |
| FDA SRS | S2ULN37C9R |
| PubChem | 5084146 |
| ChemSpider | 4260417.0 |
CONTENTS
