Molecule

ID:94393

General Information
Structure
MolImage
Molecular Formula
C₈H₉BF₃KS
Molecular Mass
244.1265696
Exact Mass
244.01071803
Charge
0
InChI
InChI=1S/C8H9BF3S.K/c1-2-13-8-5-3-7(4-6-8)9(10,11)12;/h3-6H,2H2,1H3;/q-1;+1
InChIKey
BVLNLNRSQDZWIL-UHFFFAOYSA-N
Canonic Smiles
F[B-](c1ccc(cc1)SCC)(F)F.[K+]
Isomeric Smiles
[K+].[B-](c1ccc(cc1)SCC)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.02
LogD (pH = 7.4)
3.02
Log P
3.02
Molar Refractivity
47.5349
Polarizability
18.542797
Polar Surface Area
0.0
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
No Data Available
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Molecule Details
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References
Bioactivity
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