| BioID | bio198065 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL230753 |
|---|
| Molecular Formula | C10H12O5S |
|---|
| Molecular Weight | 244.27 |
|---|
| Molecular Weight (Monoisotopic) | 244.0405 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-{4-[(Methylsulfonyl)Oxy]Phenyl}Propanoic Acid |
|---|
| Smiles | CC(C(=O)O)c1ccc(OS(C)(=O)=O)cc1 |
|---|
| Inchi | InChI=1S/C10H12O5S/c1-7(10(11)12)8-3-5-9(6-4-8)15-16(2,13)14/h3-7H,1-2H3,(H,11,12) |
|---|
| Inchi Key | ULOHAVMWDRJNLD-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -0.19 |
|---|
| Records Key | ['51'] |
|---|
| Records Name | ['2-{4-[(methylsulfonyl)oxy]phenyl}propanoic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
