Bioactive Compound Details
| BioID | bio199205 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1161933 |
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.19 |
| Molecular Weight (Monoisotopic) | 194.0579 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-[3-(Carboxylatomethyl)Phenyl]Acetate |
| Smiles | O=C(O)Cc1cccc(CC(=O)O)c1 |
| Inchi | InChI=1S/C10H10O4/c11-9(12)5-7-2-1-3-8(4-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14) |
| Inchi Key | GDYYIJNDPMFMTB-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | -0.08 |
| Records Key | ['12'] |
| Records Name | ['2-[3-(carboxylatomethyl)phenyl]acetate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
