Bioactive Compound Details
| BioID | bio198928 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL18549 |
| Molecular Formula | C8H16O |
| Molecular Weight | 128.22 |
| Molecular Weight (Monoisotopic) | 128.1201 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Octan-2-one |
| Smiles | CCCCCCC(C)=O |
| Inchi | InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3 |
| Inchi Key | ZPVFWPFBNIEHGJ-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 0.8 |
| Records Key | ['21a', '46'] |
| Records Name | ['Octan-2-one', 'Octan-2-one'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
