Tert-Butylbenzene
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1797277 | |
| PubChem: | 7366 | |
| IUPAC: | tert-butylbenzene | |
| Standard InChI: | InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3 | |
| Standard InChI Key: | YTZKOQUCBOVLHL-UHFFFAOYSA-N | |
| SMILES: | CC(c1ccccc1)(C)C | |
Molecular propeties
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| AlogP: | 2.98 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| 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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