5'-(3-Buten-1-Ynyl)-2,2'-Bithiophene
Representations & DB's id
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| ChEBI: | CHEBI:2015 | |
|---|---|---|
| ChEMBL: | CHEMBL2252901 | |
| PubChem: | 70813 | |
| IUPAC: | 2-but-3-en-1-ynyl-5-thiophen-2-ylthiophene | |
| Standard InChI: | InChI=1S/C12H8S2/c1-2-3-5-10-7-8-12(14-10)11-6-4-9-13-11/h2,4,6-9H,1H2 | |
| Standard InChI Key: | GWAIEOFEEWQORO-UHFFFAOYSA-N | |
| SMILES: | C=CC#Cc1ccc(s1)c1cccs1 | |
Molecular propeties
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| AlogP: | 4.01 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 216.01 | |
| Topological polar surface area: | 56.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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