2,5-Dimethoxy-P-Benzoquinone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL465063 | |
| PubChem: | 101405 | |
| IUPAC: | 2,5-dimethoxycyclohexa-2,5-diene-1,4-dione | |
| Standard InChI: | InChI=1S/C8H8O4/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3 | |
| Standard InChI Key: | RMMPZDDLWLALLJ-UHFFFAOYSA-N | |
| SMILES: | COC1=CC(=O)C(=CC1=O)OC | |
Molecular propeties
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| AlogP: | 0.2 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 168.04 | |
| Topological polar surface area: | 52.6 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 8 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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