2-Methylundecanal
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3182849 | |
| PubChem: | 61031 | |
| IUPAC: | 2-methylundecanal | |
| Standard InChI: | InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3 | |
| Standard InChI Key: | NFAVNWJJYQAGNB-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCCCC(C=O)C | |
Molecular propeties
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| AlogP: | 3.96 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 9 | |
| Number of rings: | 0 | |
| Molecular Weight: | 184.18 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.917 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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