Molecule

ID:111750

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₂S₄
Molecular Mass
298.50872
Exact Mass
298.01896382
Charge
0
InChI
InChI=1S/C10H18O2S4/c1-3-5-7-11-9(13)15-16-10(14)12-8-6-4-2/h3-8H2,1-2H3
InChIKey
QCAZHHXMIVSLMW-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=S)SSC(=S)OCCCC
Isomeric Smiles
CCCCOC(=S)SSC(=S)OCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.391294
LogD (pH = 7.4)
6.391294
Log P
6.391294
Molar Refractivity
83.295
Polarizability
33.686214
Polar Surface Area
18.46
Rotatable Bonds
11
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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