Heptan-2-One
Representations & DB's id
| ||
| ChEBI: | CHEBI:5672 | |
|---|---|---|
| ChEMBL: | CHEMBL18893 | |
| PubChem: | 8051 | |
| IUPAC: | heptan-2-one | |
| Standard InChI: | InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3 | |
| Standard InChI Key: | CATSNJVOTSVZJV-UHFFFAOYSA-N | |
| SMILES: | CCCCCC(=O)C | |
Molecular propeties
| ||
| AlogP: | 2.16 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 0 | |
| Molecular Weight: | 114.1 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.857 | |
| Number of carbons: | 7 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|