Molecule

ID:107414

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂O₂S
Molecular Mass
206.34548
Exact Mass
206.13405094
Charge
0
InChI
InChI=1S/C10H22O2S/c1-3-9(5-7-11)13-10(4-2)6-8-12/h9-12H,3-8H2,1-2H3
InChIKey
JGVNSMWRWNDMPR-UHFFFAOYSA-N
Canonic Smiles
OCCC(SC(CCO)CC)CC
Isomeric Smiles
CCC(CCO)SC(CC)CCO
Calculated Properties
JChem
Acid pKa
15.637097
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4263779
LogD (pH = 7.4)
1.4263779
Log P
1.4263779
Molar Refractivity
59.2895
Polarizability
23.44881
Polar Surface Area
40.46
Rotatable Bonds
8
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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