Molecule

ID:6477

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClF₆O₄S
Molecular Mass
372.6685992
Exact Mass
371.9657767
Charge
0
InChI
InChI=1S/C10H7ClF6O4S/c11-22(18,19)8-3-6(20-4-9(12,13)14)1-2-7(8)21-5-10(15,16)17/h1-3H,4-5H2
InChIKey
UCHAULDYIPVTOP-UHFFFAOYSA-N
Canonic Smiles
FC(COc1ccc(c(c1)S(=O)(=O)Cl)OCC(F)(F)F)(F)F
Isomeric Smiles
c1c(ccc(c1S(=O)(=O)Cl)OCC(F)(F)F)OCC(F)(F)F
Calculated Properties
JChem
Acid pKa
19.557043
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.5143988
LogD (pH = 7.4)
3.5143988
Log P
3.5143988
Molar Refractivity
64.0788
Polarizability
24.68766
Polar Surface Area
52.6
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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