| BioID | bio198673 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL143962 |
|---|
| Molecular Formula | C17H26O2S |
|---|
| Molecular Weight | 294.46 |
|---|
| Molecular Weight (Monoisotopic) | 294.1654 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | Acetic Acid 2-Nonylsulfanyl-Phenyl Ester |
|---|
| Smiles | CCCCCCCCCSc1ccccc1OC(C)=O |
|---|
| Inchi | InChI=1S/C17H26O2S/c1-3-4-5-6-7-8-11-14-20-17-13-10-9-12-16(17)19-15(2)18/h9-10,12-13H,3-8,11,14H2,1-2H3 |
|---|
| Inchi Key | PXUDWUNREQRFJP-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -0.36 |
|---|
| Records Key | ['48'] |
|---|
| Records Name | ['Acetic acid 2-nonylsulfanyl-phenyl ester'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
