Molecule

ID:83357

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClNaO₄S
Molecular Mass
224.63827
Exact Mass
223.98860176
Charge
0
InChI
InChI=1S/C5H11ClO4S.Na/c6-2-4-10-3-1-5-11(7,8)9;/h1-5H2,(H,7,8,9);/q;+1/p-1
InChIKey
VIKRYNSWUCJIPS-UHFFFAOYSA-M
Canonic Smiles
ClCCOCCCS(=O)(=O)O[Na]
Isomeric Smiles
S(=O)(=O)(O[Na])CCCOCCCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.5162
LogD (pH = 7.4)
0.5162
Log P
0.5162
Molar Refractivity
40.6931
Polarizability
19.218985
Polar Surface Area
52.6
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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