Phorone
Representations & DB's id
| ||
| ChEBI: | CHEBI:35572 | |
|---|---|---|
| ChEMBL: | CHEMBL2766015 | |
| PubChem: | 10438 | |
| IUPAC: | 2,6-dimethylhepta-2,5-dien-4-one | |
| Standard InChI: | InChI=1S/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6H,1-4H3 | |
| Standard InChI Key: | MTZWHHIREPJPTG-UHFFFAOYSA-N | |
| SMILES: | O=C(C=C(C)C)C=C(C)C | |
Molecular propeties
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| AlogP: | 2.49 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 0 | |
| Molecular Weight: | 138.1 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.444 | |
| Number of carbons: | 9 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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