OCTADECYLTRIMETHYLPHOSPHONIUM 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 CVFVQXOZIJNRLO-UHFFFAOYSA-M
Smiles [Cl-].CCCCCCCCCCCCCCCCCC[P+](C)(C)C
InChI
InChI=1S/C21H46P.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H46ClP
Molecular Weight 365.02
AlogP 8.12
Number of Rotational Bond 17.0
Heavy Atoms 22.0

Cross References

Resources Reference
ChEMBL CHEMBL2253490
PubChem 20031278
SureChEMBL SCHEMBL1866845
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