Molecule

ID:7715

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀F₈O₃S
Molecular Mass
386.2582256
Exact Mass
386.02229094
Charge
0
InChI
InChI=1S/C12H10F8O3S/c1-7-2-4-8(5-3-7)24(21,22)23-6-10(15,16)12(19,20)11(17,18)9(13)14/h2-5,9H,6H2,1H3
InChIKey
ACPMGBQCNGPAAY-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(COS(=O)(=O)c1ccc(cc1)C)(F)F)(F)F)(F)F)F
Isomeric Smiles
c1c(ccc(c1)S(=O)(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)C
Calculated Properties
JChem
Acid pKa
19.789526
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.6137986
LogD (pH = 7.4)
4.6137986
Log P
4.6137986
Molar Refractivity
64.7684
Polarizability
25.284706
Polar Surface Area
43.37
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
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Molecule Details
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References
Bioactivity
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