Bioactive Compound Details
| BioID | bio197508 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL349047 |
| Molecular Formula | C12H12O6 |
| Molecular Weight | 252.22 |
| Molecular Weight (Monoisotopic) | 252.0634 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Acetoxy-Benzoic Acid Acetoxymethyl Ester |
| Smiles | CC(=O)OCOC(=O)c1ccccc1OC(C)=O |
| Inchi | InChI=1S/C12H12O6/c1-8(13)16-7-17-12(15)10-5-3-4-6-11(10)18-9(2)14/h3-6H,7H2,1-2H3 |
| Inchi Key | QNGPCPPXGGUHNU-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 0.18 |
| Records Key | ['21'] |
| Records Name | ['2-Acetoxy-benzoic acid acetoxymethyl ester'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
