| BioID | bio198993 |
|---|
| Name | 2-METHYLPENTANAL |
|---|
| ChEMBL ID | CHEMBL2270061 |
|---|
| Molecular Formula | C6H12O |
|---|
| Molecular Weight | 100.16 |
|---|
| Molecular Weight (Monoisotopic) | 100.0888 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | None |
|---|
| Smiles | CCCC(C)C=O |
|---|
| Inchi | InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3 |
|---|
| Inchi Key | FTZILAQGHINQQR-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 9.0 |
|---|
| Bioactivities | 11.0 |
|---|
| Np Likeness Score | 2.06 |
|---|
| Records Key | ['2-methylpentanal', 'SID251919655', '7B'] |
|---|
| Records Name | ['2-methylpentanal', 'SID251919655', '2-Methyl-n-valeraldehyde'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
