Molecule

ID:40161

General Information
Structure
MolImage
Molecular Formula
C₁₃H₆ClF₅O₃S
Molecular Mass
372.694956
Exact Mass
371.96463383
Charge
0
InChI
InChI=1S/C13H6ClF5O3S/c14-7-3-1-2-6(4-7)5-23(20,21)22-13-11(18)9(16)8(15)10(17)12(13)19/h1-4H,5H2
InChIKey
HBIDYDWSCOTXFM-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)CS(=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)Cc1cc(Cl)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2697625
LogD (pH = 7.4)
4.2697625
Log P
4.2697625
Molar Refractivity
71.4146
Polarizability
27.591024
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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