Molecule

ID:107497

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂O₂S
Molecular Mass
206.34548
Exact Mass
206.13405094
Charge
0
InChI
InChI=1S/C10H22O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h3-10H2,1-2H3
InChIKey
NLUGCAKOZAODBF-UHFFFAOYSA-N
Canonic Smiles
CCCCCS(=O)(=O)CCCCC
Isomeric Smiles
CCCCCS(=O)(=O)CCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.540342
LogD (pH = 7.4)
2.540342
Log P
2.540342
Molar Refractivity
57.3162
Polarizability
23.319593
Polar Surface Area
34.14
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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