Molecule

ID:9595

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉F₅O₃S
Molecular Mass
352.276476
Exact Mass
352.01925625
Charge
0
InChI
InChI=1S/C14H9F5O3S/c1-7-2-4-8(5-3-7)23(20,21)22-6-9-10(15)12(17)14(19)13(18)11(9)16/h2-5H,6H2,1H3
InChIKey
BKNSDBYJUGNUDL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)OCc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)COS(=O)(=O)c1ccc(cc1)C)F)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4835176
LogD (pH = 7.4)
4.4835176
Log P
4.4835176
Molar Refractivity
71.8986
Polarizability
27.285116
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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