Bioactive Compound Details
| BioID | bio198840 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2152558 |
| Molecular Formula | C9H10O2S |
| Molecular Weight | 182.24 |
| Molecular Weight (Monoisotopic) | 182.0402 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-(2-Mercaptoethyl)Benzoic Acid |
| Smiles | O=C(O)c1ccccc1CCS |
| Inchi | InChI=1S/C9H10O2S/c10-9(11)8-4-2-1-3-7(8)5-6-12/h1-4,12H,5-6H2,(H,10,11) |
| Inchi Key | OYNMQTZKBJYUNY-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -0.3 |
| Records Key | ['13'] |
| Records Name | ['2-(2-Mercaptoethyl)benzoic Acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
