| BioID | bio197798 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL454759 |
|---|
| Molecular Formula | C7H12O |
|---|
| Molecular Weight | 112.17 |
|---|
| Molecular Weight (Monoisotopic) | 112.0888 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | (E)-2-Heptenal |
|---|
| Smiles | CCCC/C=C/C=O |
|---|
| Inchi | InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+ |
|---|
| Inchi Key | NDFKTBCGKNOHPJ-AATRIKPKSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 16.0 |
|---|
| Bioactivities | 27.0 |
|---|
| Np Likeness Score | 2.56 |
|---|
| Records Key | ['2E-C7:1-Ald', '1', '39'] |
|---|
| Records Name | ['(E)-hept-2-enal', '(E)-2-heptenal', 'hept-2-enal'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
