| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | T5U61CGW4R |
| EPA CompTox | DTXSID10960161 |
Structure
| InChI Key | MBOLLKIPKUVPFQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H18O3 |
| Molecular Weight | 174.13 |
| AlogP | 1.49 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 39556-41-7 |
| NORMAN SUSDAT | |
| FDA SRS | T5U61CGW4R |
| PubChem | 3016085 |
CONTENTS
