DIDECYLDIMETHYLPHOSPHONIUM CHLORIDE

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Molecule Category Salt-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key WUZCDFBPIXZGSA-UHFFFAOYSA-M
Smiles [Cl-].CCCCCCCCCC[P+](C)(C)CCCCCCCCCC
InChI
InChI=1S/C22H48P.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H48ClP
Molecular Weight 379.04
AlogP 8.54
Number of Rotational Bond 18.0
Heavy Atoms 23.0

Cross References

Resources Reference
ChEMBL CHEMBL2253489
PubChem 20351238
SureChEMBL SCHEMBL5092767
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