(E)-2-Heptenal
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL454759 | |
| PubChem: | 5283316 | |
| IUPAC: | (E)-hept-2-enal | |
| Standard InChI: | InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+ | |
| Standard InChI Key: | NDFKTBCGKNOHPJ-AATRIKPKSA-N | |
| SMILES: | CCCC/C=C/C=O | |
Molecular propeties
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| AlogP: | 1.93 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 0 | |
| Molecular Weight: | 112.09 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.571 | |
| Number of carbons: | 7 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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