But-2-Enoic Acid
Representations & DB's id
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| ChEBI: | CHEBI:17217 | |
|---|---|---|
| ChEMBL: | CHEMBL3185203 | |
| PubChem: | 19499 | |
| IUPAC: | but-2-enoic acid | |
| Standard InChI: | InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6) | |
| Standard InChI Key: | LDHQCZJRKDOVOX-UHFFFAOYSA-N | |
| SMILES: | CC=CC(=O)O | |
Molecular propeties
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| AlogP: | 0.65 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 0 | |
| Molecular Weight: | 86.04 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 4 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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