Bioactive Compound Details
| BioID | bio198909 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL351485 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.24 |
| Molecular Weight (Monoisotopic) | 222.0892 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Acetoxy-Benzoic Acid Propyl Ester |
| Smiles | CCCOC(=O)c1ccccc1OC(C)=O |
| Inchi | InChI=1S/C12H14O4/c1-3-8-15-12(14)10-6-4-5-7-11(10)16-9(2)13/h4-7H,3,8H2,1-2H3 |
| Inchi Key | NOUWRSCMGQNHEH-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | -0.31 |
| Records Key | ['5'] |
| Records Name | ['2-Acetoxy-benzoic acid propyl ester'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
