Molecule

ID:98059

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅F₃O₃S₂
Molecular Mass
422.5252096
Exact Mass
422.11972132
Charge
0
InChI
InChI=1S/C19H25F3O3S2/c1-3-5-14-26(15-6-4-2,25-27(23,24)19(20,21)22)18-13-9-11-16-10-7-8-12-17(16)18/h7-13H,3-6,14-15H2,1-2H3
InChIKey
BXHHDVMDXKHDQD-UHFFFAOYSA-N
Canonic Smiles
CCCCS(c1cccc2c1cccc2)(OS(=O)(=O)C(F)(F)F)CCCC
Isomeric Smiles
S(c1cccc2ccccc12)(CCCC)(OS(=O)(=O)C(F)(F)F)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.3349
LogD (pH = 7.4)
7.3349
Log P
7.3349
Molar Refractivity
102.6996
Polarizability
42.181793
Polar Surface Area
43.37
Rotatable Bonds
10
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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