Bioactive Compound Details
| BioID | bio198404 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL163148 |
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.19 |
| Molecular Weight (Monoisotopic) | 194.0579 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Acetoxy-Benzoic Acid Methyl Ester |
| Smiles | COC(=O)c1ccccc1OC(C)=O |
| Inchi | InChI=1S/C10H10O4/c1-7(11)14-9-6-4-3-5-8(9)10(12)13-2/h3-6H,1-2H3 |
| Inchi Key | ONWPLBKWMAUFGZ-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | -0.14 |
| Records Key | ['14', '3', '16'] |
| Records Name | ['2-Acetoxy-benzoic acid methyl ester', '2-Acetoxy-benzoic acid methyl ester', 'methyl 2-acetoxybenzoate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
