(2E)-Hexenoic Acid
Representations & DB's id
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| ChEBI: | CHEBI:87721 | |
|---|---|---|
| ChEMBL: | CHEMBL2252747 | |
| PubChem: | 5282707 | |
| IUPAC: | (E)-hex-2-enoic acid | |
| Standard InChI: | InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+ | |
| Standard InChI Key: | NIONDZDPPYHYKY-SNAWJCMRSA-N | |
| SMILES: | CCC/C=C/C(=O)O | |
Molecular propeties
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| AlogP: | 1.43 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 0 | |
| Molecular Weight: | 114.07 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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