Alpha-Thujaplicin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1275969 | |
| PubChem: | 80297 | |
| IUPAC: | 2-hydroxy-3-propan-2-ylcyclohepta-2,4,6-trien-1-one | |
| Standard InChI: | InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12) | |
| Standard InChI Key: | TUFYVOCKVJOUIR-UHFFFAOYSA-N | |
| SMILES: | CC(c1ccccc(c1=O)O)C | |
Molecular propeties
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| AlogP: | 1.88 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 164.08 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 10 | |