Bioactive Compound Details
| BioID | bio198232 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL451068 |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.28 |
| Molecular Weight (Monoisotopic) | 222.1256 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Butyl 2-(4-Methoxyphenyl)Acetate |
| Smiles | CCCCOC(=O)Cc1ccc(OC)cc1 |
| Inchi | InChI=1S/C13H18O3/c1-3-4-9-16-13(14)10-11-5-7-12(15-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3 |
| Inchi Key | DACRGZJKNATRGT-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -0.3 |
| Records Key | ['7d'] |
| Records Name | ['Butyl 2-(4-methoxyphenyl)acetate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
