1,3,5-Tri(Propan-2-Yl)Benzene
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3187859 | |
| PubChem: | 12860 | |
| IUPAC: | 1,3,5-tri(propan-2-yl)benzene | |
| Standard InChI: | InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3 | |
| Standard InChI Key: | VUMCUSHVMYIRMB-UHFFFAOYSA-N | |
| SMILES: | CC(c1cc(cc(c1)C(C)C)C(C)C)C | |
Molecular propeties
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| AlogP: | 5.06 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 204.19 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.6 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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