| BioID | bio200258 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL164567 |
|---|
| Molecular Formula | C10H12O4S |
|---|
| Molecular Weight | 228.27 |
|---|
| Molecular Weight (Monoisotopic) | 228.0456 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | Acetic Acid 2-Benzenesulfonyl-Ethyl Ester |
|---|
| Smiles | CC(=O)OCCS(=O)(=O)c1ccccc1 |
|---|
| Inchi | InChI=1S/C10H12O4S/c1-9(11)14-7-8-15(12,13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
|---|
| Inchi Key | DANHWQZACBZPMR-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | -0.89 |
|---|
| Records Key | ['12'] |
|---|
| Records Name | ['Acetic acid 2-benzenesulfonyl-ethyl ester'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
