| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40987664 |
Structure
| InChI Key | NNCBVVNCQYNPPB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10O6 |
| Molecular Weight | 214.05 |
| AlogP | -0.05 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 107.22 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68162-50-5 |
| NORMAN SUSDAT | |
| PubChem | 3017835 |
CONTENTS
