Thymoquinone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1672002 | |
| PubChem: | 10281 | |
| IUPAC: | 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione | |
| Standard InChI: | InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3 | |
| Standard InChI Key: | KEQHJBNSCLWCAE-UHFFFAOYSA-N | |
| SMILES: | CC(C1=CC(=O)C(=CC1=O)C)C | |
Molecular propeties
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| AlogP: | 1.67 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 164.08 | |
| Topological polar surface area: | 34.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.2 | |
| Number of carbons: | 10 | |