Molecule

ID:94003

General Information
Structure
MolImage
Molecular Formula
C₇H₇BF₃KO₂S
Molecular Mass
262.0987896
Exact Mass
261.9848972
Charge
0
InChI
InChI=1S/C7H7BF3O2S.K/c1-14(12,13)7-4-2-6(3-5-7)8(9,10)11;/h2-5H,1H3;/q-1;+1
InChIKey
QOZWCMTYKAZMHD-UHFFFAOYSA-N
Canonic Smiles
F[B-](c1ccc(cc1)S(=O)(=O)C)(F)F.[K+]
Isomeric Smiles
[B-](c1ccc(cc1)S(=O)(=O)C)(F)(F)F.[K+]
Calculated Properties
JChem
Acid pKa
19.738457
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9015
LogD (pH = 7.4)
0.9015
Log P
0.9015
Molar Refractivity
43.9818
Polarizability
18.016964
Polar Surface Area
34.14
Rotatable Bonds
2
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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