Molecule

ID:104155

General Information
Structure
MolImage
Molecular Formula
C₄H₉NaO₃S
Molecular Mass
160.16723
Exact Mass
160.01700943
Charge
0
InChI
InChI=1S/C4H10O3S.Na/c1-2-3-4-8(5,6)7;/h2-4H2,1H3,(H,5,6,7);/q;+1/p-1
InChIKey
XQCHMGAOAWZUPI-UHFFFAOYSA-M
Canonic Smiles
CCCCS(=O)(=O)[O-].[Na+]
Isomeric Smiles
[Na+].CCCCS(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-0.8749581
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.8606408
LogD (pH = 7.4)
-1.8606836
Log P
0.51571465
Molar Refractivity
29.4072
Polarizability
12.699736
Polar Surface Area
57.2
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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