Molecule

ID:94087

General Information
Structure
MolImage
Molecular Formula
C₁₄H₄Cl₂F₂₄O₄S
Molecular Mass
795.1118368
Exact Mass
793.88241225
Charge
0
InChI
InChI=1S/C14H4Cl2F24O4S/c15-13(37,38)11(33,34)9(29,30)7(25,26)5(21,22)3(17,18)1-43-45(41,42)44-2-4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(16,39)40/h1-2H2
InChIKey
SJJVEEVPDRYZPY-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(COS(=O)(=O)OCC(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
S(=O)(=O)(OCC(C(C(C(F)(C(C(F)(Cl)F)(F)F)F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)C(F)(F)C(F)(F)C(Cl)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
9.244362
LogD (pH = 7.4)
9.244362
Log P
9.244362
Molar Refractivity
89.9852
Polarizability
36.509064
Polar Surface Area
52.6
Rotatable Bonds
16
Lipinski's Rule of Five
false
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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