Molecule

ID:123282

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀NaO₂PS₂
Molecular Mass
208.214531
Exact Mass
207.97575247
Charge
0
InChI
InChI=1S/C4H11O2PS2.Na/c1-3-5-7(8,9)6-4-2;/h3-4H2,1-2H3,(H,8,9);/q;+1/p-1
InChIKey
ZKDDJTYSFCWVGS-UHFFFAOYSA-M
Canonic Smiles
CCOP(=S)(OCC)[S-].[Na+]
Isomeric Smiles
P(=S)([S-])(OCC)OCC.[Na+]
Calculated Properties
JChem
Acid pKa
1.3514
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.5429469
LogD (pH = 7.4)
0.54191536
Log P
2.0848842
Molar Refractivity
47.9738
Polarizability
19.572765
Polar Surface Area
18.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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