Molecule

ID:10074

General Information
Structure
Molecular Formula
C₁₀H₉F₃O₃S
Molecular Mass
266.2368696
Exact Mass
266.02244981
Charge
0
InChI
InChI=1S/C10H9F3O3S/c1-17(15,16)6-9(14)7-3-2-4-8(5-7)10(11,12)13/h2-5H,6H2,1H3
InChIKey
DKOAKSYPFZFHMT-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccc(c1)C(F)(F)F)CS(=O)(=O)C
Isomeric Smiles
c1cc(cc(c1)C(=O)CS(=O)(=O)C)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.961059
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.26560378
LogD (pH = 7.4)
-1.4964874
Log P
1.2656667
Molar Refractivity
56.1594
Polarizability
21.410437
Polar Surface Area
51.21
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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