2-Tridecanone
Representations & DB's id
| ||
| ChEBI: | CHEBI:77928 | |
|---|---|---|
| ChEMBL: | CHEMBL480097 | |
| PubChem: | 11622 | |
| IUPAC: | tridecan-2-one | |
| Standard InChI: | InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3 | |
| Standard InChI Key: | CYIFVRUOHKNECG-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCCCCCC(=O)C | |
Molecular propeties
| ||
| AlogP: | 4.5 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 10 | |
| Number of rings: | 0 | |
| Molecular Weight: | 198.2 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.923 | |
| Number of carbons: | 13 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|