Molecule

ID:134951

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄OS
Molecular Mass
204.37266
Exact Mass
204.15478639
Charge
0
InChI
InChI=1S/C11H24OS/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2
InChIKey
ULGGZAVAARQJCS-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCCCCCS
Isomeric Smiles
C(CCCCCO)CCCCCS
Calculated Properties
JChem
Acid pKa
10.200824
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.7319853
LogD (pH = 7.4)
3.7313564
Log P
3.7319934
Molar Refractivity
62.2992
Polarizability
24.675825
Polar Surface Area
20.23
Rotatable Bonds
10
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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