Bioactive Compound Details
| BioID | bio197762 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL144806 |
| Molecular Formula | C13H18O2S |
| Molecular Weight | 238.35 |
| Molecular Weight (Monoisotopic) | 238.1028 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Acetic Acid 2-Pentylsulfanyl-Phenyl Ester |
| Smiles | CCCCCSc1ccccc1OC(C)=O |
| Inchi | InChI=1S/C13H18O2S/c1-3-4-7-10-16-13-9-6-5-8-12(13)15-11(2)14/h5-6,8-9H,3-4,7,10H2,1-2H3 |
| Inchi Key | QCBPAZOETZPVCH-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | -0.52 |
| Records Key | ['44'] |
| Records Name | ['Acetic acid 2-pentylsulfanyl-phenyl ester'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
