| BioID | bio199917 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL350274 |
|---|
| Molecular Formula | C11H12O5S |
|---|
| Molecular Weight | 256.28 |
|---|
| Molecular Weight (Monoisotopic) | 256.0405 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-Acetoxy-Benzoic Acid Methanesulfinylmethyl Ester |
|---|
| Smiles | CC(=O)Oc1ccccc1C(=O)OC[S+](C)[O-] |
|---|
| Inchi | InChI=1S/C11H12O5S/c1-8(12)16-10-6-4-3-5-9(10)11(13)15-7-17(2)14/h3-6H,7H2,1-2H3 |
|---|
| Inchi Key | ZUYDNEVBJGMSGH-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | -0.13 |
|---|
| Records Key | ['19', '7'] |
|---|
| Records Name | ['2-Acetoxy-benzoic acid methanesulfinylmethyl ester', '(methylsulfinyl)methyl 2-acetoxybenzoate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
