Bioactive Compound Details
| BioID | bio198976 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL486361 |
| Molecular Formula | C14H13ClO3S |
| Molecular Weight | 296.77 |
| Molecular Weight (Monoisotopic) | 296.0274 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 4-Chlorophenyl 2-Phenylethanesulfonate |
| Smiles | O=S(=O)(CCc1ccccc1)Oc1ccc(Cl)cc1 |
| Inchi | InChI=1S/C14H13ClO3S/c15-13-6-8-14(9-7-13)18-19(16,17)11-10-12-4-2-1-3-5-12/h1-9H,10-11H2 |
| Inchi Key | CONLQVBPDLBQCU-UHFFFAOYSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -0.88 |
| Records Key | ['3b'] |
| Records Name | ['4-chlorophenyl 2-phenylethanesulfonate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
