| BioID | bio198875 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL499837 |
|---|
| Molecular Formula | C13H18O3 |
|---|
| Molecular Weight | 222.28 |
|---|
| Molecular Weight (Monoisotopic) | 222.1256 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | Isobutyl 2-(4-Methoxyphenyl)Acetate |
|---|
| Smiles | COc1ccc(CC(=O)OCC(C)C)cc1 |
|---|
| Inchi | InChI=1S/C13H18O3/c1-10(2)9-16-13(14)8-11-4-6-12(15-3)7-5-11/h4-7,10H,8-9H2,1-3H3 |
|---|
| Inchi Key | GFCCKWFZGFCPNU-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | -0.32 |
|---|
| Records Key | ['7i'] |
|---|
| Records Name | ['Isobutyl 2-(4-methoxyphenyl)acetate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
