| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90983015 |
Structure
| InChI Key | OOZIORGGHDGCLG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14O5 |
| Molecular Weight | 202.08 |
| AlogP | -0.27 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 60.59 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 64445-72-3 |
| NORMAN SUSDAT | |
| PubChem | 6454894 |
CONTENTS
