1,3,5-Trimethylbenzene
Representations & DB's id
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| ChEBI: | CHEBI:34833 | |
|---|---|---|
| ChEMBL: | CHEMBL1797281 | |
| PubChem: | 7947 | |
| IUPAC: | 1,3,5-trimethylbenzene | |
| Standard InChI: | InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3 | |
| Standard InChI Key: | AUHZEENZYGFFBQ-UHFFFAOYSA-N | |
| SMILES: | Cc1cc(C)cc(c1)C | |
Molecular propeties
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| AlogP: | 2.61 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| 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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