Molecule

ID:130880

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NaO₃S
Molecular Mass
216.27355
Exact Mass
216.07960969
Charge
0
InChI
InChI=1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
InChIKey
HRQDCDQDOPSGBR-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCS(=O)(=O)[O-].[Na+]
Isomeric Smiles
CCCCCCCCS(=O)(=O)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
-0.43297353
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.082289435
LogD (pH = 7.4)
-0.08240796
Log P
2.2939894
Molar Refractivity
47.8112
Polarizability
19.998466
Polar Surface Area
57.2
Rotatable Bonds
7
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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