Molecule

ID:93992

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈BF₄K
Molecular Mass
278.0948328
Exact Mass
278.02922522
Charge
0
InChI
InChI=1S/C12H8BF4.K/c14-12-8-10(13(15,16)17)6-7-11(12)9-4-2-1-3-5-9;/h1-8H;/q-1;+1
InChIKey
ZSOWNGROMWKEIA-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(ccc1c1ccccc1)[B-](F)(F)F.[K+]
Isomeric Smiles
[B-](c1cc(c(cc1)c1ccccc1)F)(F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9536
LogD (pH = 7.4)
3.9536
Log P
3.9536
Molar Refractivity
55.3308
Polarizability
22.362503
Polar Surface Area
0.0
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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