Molecule

ID:39870

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉F₅O₃S
Molecular Mass
352.276476
Exact Mass
352.01925625
Charge
0
InChI
InChI=1S/C14H9F5O3S/c1-2-7-3-5-8(6-4-7)23(20,21)22-14-12(18)10(16)9(15)11(17)13(14)19/h3-6H,2H2,1H3
InChIKey
RDSPPAXHZMLTTK-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)S(=O)(=O)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)OS(=O)(=O)c1ccc(cc1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8615713
LogD (pH = 7.4)
4.8615713
Log P
4.8615713
Molar Refractivity
71.6646
Polarizability
27.266777
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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