Nonylacetate
Representations & DB's id
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| ChEBI: | CHEBI:87511 | |
|---|---|---|
| ChEMBL: | CHEMBL2228457 | |
| PubChem: | 8918 | |
| IUPAC: | nonyl acetate | |
| Standard InChI: | InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3 | |
| Standard InChI Key: | GJQIMXVRFNLMTB-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCCCOC(=O)C | |
Molecular propeties
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| AlogP: | 3.3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 0 | |
| Molecular Weight: | 186.16 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.909 | |
| Number of carbons: | 11 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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