Molecule

ID:107309

General Information
Structure
MolImage
Molecular Formula
C₂₀H₄₂O₄S
Molecular Mass
378.61008
Exact Mass
378.28038082
Charge
0
InChI
InChI=1S/C20H42O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23/h2-20H2,1H3,(H,21,22,23)
InChIKey
DLFKFFZPKVOYJI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O
Calculated Properties
JChem
Acid pKa
-1.4508551
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.597019
LogD (pH = 7.4)
5.5970078
Log P
7.9734063
Molar Refractivity
105.7427
Polarizability
42.867687
Polar Surface Area
63.6
Rotatable Bonds
20
Lipinski's Rule of Five
false
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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