Molecule

ID:105858

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₅LiO₄S
Molecular Mass
272.3305
Exact Mass
272.16335983
Charge
0
InChI
InChI=1S/C12H26O4S.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKey
YFVGRULMIQXYNE-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCCCOS(=O)(=O)[O-].[Li+]
Isomeric Smiles
[Li+].CCCCCCCCCCCCOS(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-1.4508551
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0404696
LogD (pH = 7.4)
2.0404584
Log P
4.4168572
Molar Refractivity
67.813
Polarizability
28.054403
Polar Surface Area
66.43
Rotatable Bonds
12
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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