Molecule

ID:39871

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇F₅O₃S
Molecular Mass
338.249896
Exact Mass
338.00360618
Charge
0
InChI
InChI=1S/C13H7F5O3S/c14-8-9(15)11(17)13(12(18)10(8)16)21-22(19,20)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
CRXCGNNPJUBACD-UHFFFAOYSA-N
Canonic Smiles
Fc1c(OS(=O)(=O)Cc2ccccc2)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)OS(=O)(=O)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6657176
LogD (pH = 7.4)
3.6657176
Log P
3.6657176
Molar Refractivity
66.6098
Polarizability
25.587576
Polar Surface Area
43.37
Rotatable Bonds
4
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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