Molecule

ID:108603

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂O₂S
Molecular Mass
206.34548
Exact Mass
206.13405094
Charge
0
InChI
InChI=1S/C10H22O2S/c1-9(2)5-7-13(11,12)8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKey
FBSPARWZQMEZEU-UHFFFAOYSA-N
Canonic Smiles
CC(CCS(=O)(=O)CCC(C)C)C
Isomeric Smiles
CC(C)CCS(=O)(=O)CCC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2252429
LogD (pH = 7.4)
2.2252429
Log P
2.2252429
Molar Refractivity
57.2114
Polarizability
23.319593
Polar Surface Area
34.14
Rotatable Bonds
6
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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