1-Ethyl-4-Methylbenzene
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL195384 | |
| PubChem: | 12160 | |
| IUPAC: | 1-ethyl-4-methylbenzene | |
| Standard InChI: | InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 | |
| Standard InChI Key: | JRLPEMVDPFPYPJ-UHFFFAOYSA-N | |
| SMILES: | CCc1ccc(cc1)C | |
Molecular propeties
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| AlogP: | 2.56 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 120.09 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 9 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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