OCTADECANE-1-SULPHONYL CHLORIDE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20143943

Structure

InChI Key VDRWNKIQBYUKGD-UHFFFAOYSA-N
Smiles O=S(=O)(Cl)CCCCCCCCCCCCCCCCCC
InChI
InChI=1/C18H37ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H37ClO2S
Molecular Weight 352.22
AlogP 6.82
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 17.0
Polar Surface Area 34.14
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 10147-41-8
NORMAN SUSDAT
PubChem 66281
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