Molecule

ID:39859

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇F₅O₃S
Molecular Mass
338.249896
Exact Mass
338.00360618
Charge
0
InChI
InChI=1S/C13H7F5O3S/c1-6-3-2-4-7(5-6)22(19,20)21-13-11(17)9(15)8(14)10(16)12(13)18/h2-5H,1H3
InChIKey
HWCYHSIKASUOQS-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)S(=O)(=O)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)OS(=O)(=O)c1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4170027
LogD (pH = 7.4)
4.4170027
Log P
4.4170027
Molar Refractivity
67.0636
Polarizability
25.486868
Polar Surface Area
43.37
Rotatable Bonds
3
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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