Molecule

ID:112113

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₀O₂S
Molecular Mass
358.5374
Exact Mass
358.1966512
Charge
0
InChI
InChI=1S/C22H30O2S/c1-21(2,17-15-19-11-7-5-8-12-19)25(23,24)22(3,4)18-16-20-13-9-6-10-14-20/h5-14H,15-18H2,1-4H3
InChIKey
QCBCDULWFNRZLU-UHFFFAOYSA-N
Canonic Smiles
CC(S(=O)(=O)C(CCc1ccccc1)(C)C)(CCc1ccccc1)C
Isomeric Smiles
CC(C)(CCc1ccccc1)S(=O)(=O)C(C)(C)CCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.921873
LogD (pH = 7.4)
5.921873
Log P
5.921873
Molar Refractivity
106.0862
Polarizability
42.544895
Polar Surface Area
34.14
Rotatable Bonds
8
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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