Molecule

ID:133208

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₈O₃S
Molecular Mass
346.56822
Exact Mass
346.25416608
Charge
0
InChI
InChI=1S/C19H38O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(2,20)21/h10-11H,3-9,12-19H2,1-2H3/b11-10-
InChIKey
SFCVHVDJESFESU-KHPPLWFESA-N
Canonic Smiles
CCCCCCCC/C=C\CCCCCCCCOS(=O)(=O)C
Isomeric Smiles
CCCCCCCC/C=C\CCCCCCCCOS(=O)(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.6035256
LogD (pH = 7.4)
6.6035256
Log P
6.6035256
Molar Refractivity
100.418
Polarizability
40.348
Polar Surface Area
43.37
Rotatable Bonds
17
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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