| BioID | bio200422 |
|---|
| Name | BENZOIC ACID 2-METHYLPROPYL ESTER |
|---|
| ChEMBL ID | CHEMBL2260714 |
|---|
| Molecular Formula | C11H14O2 |
|---|
| Molecular Weight | 178.23 |
|---|
| Molecular Weight (Monoisotopic) | 178.0994 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | None |
|---|
| Smiles | CC(C)COC(=O)c1ccccc1 |
|---|
| Inchi | InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
|---|
| Inchi Key | KYZHGEFMXZOSJN-UHFFFAOYSA-N |
|---|
| Molecular Species | None |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | -0.38 |
|---|
| Records Key | ['37, isobutylbenzoate', 'SID144212644'] |
|---|
| Records Name | ['Benzoic acid 2-methylpropyl ester', 'SID144212644'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
