Bioactive Compound Details
| BioID | bio197920 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL234227 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.24 |
| Molecular Weight (Monoisotopic) | 190.0994 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Pentanoylbenzaldehyde |
| Smiles | CCCCC(=O)c1ccccc1C=O |
| Inchi | InChI=1S/C12H14O2/c1-2-3-8-12(14)11-7-5-4-6-10(11)9-13/h4-7,9H,2-3,8H2,1H3 |
| Inchi Key | SNXIBMGOCVIDJT-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -0.08 |
| Records Key | ['25'] |
| Records Name | ['2-pentanoylbenzaldehyde'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
