| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 8D4SNN7V92 |
Structure
| InChI Key | ZTHYODDOHIVTJV-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H12O5 |
| Molecular Weight | 212.2 |
| AlogP | 1.37 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 86.99 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 10607 |
| ChEMBL | CHEMBL7983 |
| DrugBank | DB12450 |
| EPA CompTox | DTXSID5021201 |
| FDA SRS | 8D4SNN7V92 |
| Human Metabolome Database | HMDB0033835 |
| KEGG | C11155 |
| PubChem | 4947 |
| SureChEMBL | SCHEMBL22630 |
| ZINC | ZINC000001532172 |
CONTENTS