| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S6T99EY2F2 |
| EPA CompTox | DTXSID70934363 |
Structure
| InChI Key | WRTPVONNQPWNRH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H18O3 |
| Molecular Weight | 186.13 |
| AlogP | 2.15 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1519-23-9 |
| NORMAN SUSDAT | |
| FDA SRS | S6T99EY2F2 |
| PubChem | 102642 |
CONTENTS
