Molecule
ID:96392
General Information
Molecular Formula
C₁₅H₆Cl₂F₄O₄S
Molecular Mass
429.1703528
Exact Mass
427.92999791
Charge
0
InChI
InChI=1S/C15H6Cl2F4O4S/c1-5-15(9-10(18)11(19)12(20)13(21)14(9)24-5)26(22,23)25-8-3-2-6(16)4-7(8)17/h2-4H,1H3
InChIKey
UJDLFOLLIYORBM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OS(=O)(=O)c1c(C)oc2c1c(F)c(F)c(c2F)F
Isomeric Smiles
S(=O)(=O)(c1c(oc2c(c(c(c(c12)F)F)F)F)C)Oc1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.3276534
LogD (pH = 7.4)
5.3276534
Log P
5.3276534
Molar Refractivity
85.4064
Polarizability
33.909676
Polar Surface Area
56.51
Rotatable Bonds
3
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
No Data Available
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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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