Bioactive Compound Details
| BioID | bio197858 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL144218 |
| Molecular Formula | C14H20O2S |
| Molecular Weight | 252.38 |
| Molecular Weight (Monoisotopic) | 252.1184 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Acetic Acid 2-Hexylsulfanyl-Phenyl Ester |
| Smiles | CCCCCCSc1ccccc1OC(C)=O |
| Inchi | InChI=1S/C14H20O2S/c1-3-4-5-8-11-17-14-10-7-6-9-13(14)16-12(2)15/h6-7,9-10H,3-5,8,11H2,1-2H3 |
| Inchi Key | IIONGZARVQOSAZ-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | -0.43 |
| Records Key | ['45'] |
| Records Name | ['Acetic acid 2-hexylsulfanyl-phenyl ester'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
