Hexane-2,3-Dione
Representations & DB's id
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| ChEBI: | CHEBI:87583 | |
|---|---|---|
| ChEMBL: | CHEMBL3187497 | |
| PubChem: | 19707 | |
| IUPAC: | hexane-2,3-dione | |
| Standard InChI: | InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3 | |
| Standard InChI Key: | MWVFCEVNXHTDNF-UHFFFAOYSA-N | |
| SMILES: | CCCC(=O)C(=O)C | |
Molecular propeties
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| AlogP: | 0.94 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 0 | |
| Molecular Weight: | 114.07 | |
| Topological polar surface area: | 34.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.667 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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