1,4-Diethylbenzene
Representations & DB's id
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| ChEBI: | CHEBI:34062 | |
|---|---|---|
| ChEMBL: | CHEMBL3187283 | |
| PubChem: | 7734 | |
| IUPAC: | 1,4-diethylbenzene | |
| Standard InChI: | InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3 | |
| Standard InChI Key: | DSNHSQKRULAAEI-UHFFFAOYSA-N | |
| SMILES: | CCc1ccc(cc1)CC | |
Molecular propeties
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| AlogP: | 2.81 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 134.11 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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