Bioactive Compound Details
| BioID | bio198400 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL450134 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.26 |
| Molecular Weight (Monoisotopic) | 208.1099 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Isopropyl 2-(4-Methoxyphenyl)Acetate |
| Smiles | COc1ccc(CC(=O)OC(C)C)cc1 |
| Inchi | InChI=1S/C12H16O3/c1-9(2)15-12(13)8-10-4-6-11(14-3)7-5-10/h4-7,9H,8H2,1-3H3 |
| Inchi Key | MIKVYRWSUUCYNM-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -0.55 |
| Records Key | ['7g'] |
| Records Name | ['Isopropyl 2-(4-methoxyphenyl)acetate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
