Molecule
ID:94090
General Information
Molecular Formula
C₁₀H₄Cl₂F₁₆O₄S
Molecular Mass
595.0818112
Exact Mass
593.89518649
Charge
0
InChI
InChI=1S/C10H4Cl2F16O4S/c11-9(25,26)7(21,22)5(17,18)3(13,14)1-31-33(29,30)32-2-4(15,16)6(19,20)8(23,24)10(12,27)28/h1-2H2
InChIKey
LEFSNDOCEVPEPL-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(Cl)(F)F)(F)F)(F)F)(COS(=O)(=O)OCC(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
O(CC(C(F)(C(F)(F)C(Cl)(F)F)F)(F)F)S(=O)(=O)OCC(C(C(F)(F)C(Cl)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.4417915
LogD (pH = 7.4)
6.4417915
Log P
6.4417915
Molar Refractivity
71.3132
Polarizability
28.915102
Polar Surface Area
52.6
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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