TETRADECYLTRIMETHYLPHOSPHONIUM 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 KDNBFSGJXLQPKZ-UHFFFAOYSA-M
Smiles [Cl-].CCCCCCCCCCCCCC[P+](C)(C)C
InChI
InChI=1S/C17H38P.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H38ClP
Molecular Weight 308.91
AlogP 6.3
Number of Rotational Bond 13.0
Heavy Atoms 18.0

Cross References

Resources Reference
ChEMBL CHEMBL2253491
PubChem 3036617
SureChEMBL SCHEMBL5091261
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