| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | VKCROHJIGLNYSC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H18O3 |
| Molecular Weight | 162.13 |
| AlogP | 0.81 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 38.69 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 15764-24-6 |
| NORMAN SUSDAT |
CONTENTS
