Molecule

ID:93993

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉BF₃K
Molecular Mass
248.0936696
Exact Mass
248.03864703
Charge
0
InChI
InChI=1S/C11H9BF3.K/c1-8-6-7-11(12(13,14)15)10-5-3-2-4-9(8)10;/h2-7H,1H3;/q-1;+1
InChIKey
YZIUPDNTOPJMOX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c2c1cccc2)[B-](F)(F)F.[K+]
Isomeric Smiles
[B-](c1c2c(c(cc1)C)cccc2)(F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5991
LogD (pH = 7.4)
3.5991
Log P
3.5991
Molar Refractivity
51.4696
Polarizability
20.972485
Polar Surface Area
0.0
Rotatable Bonds
1
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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