Molecule

ID:94378

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁BF₃KO
Molecular Mass
290.1303496
Exact Mass
290.04921171
Charge
0
InChI
InChI=1S/C13H11BF3O.K/c15-14(16,17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11;/h1-9H,10H2;/q-1;+1
InChIKey
DWILRRAFYGUCNV-UHFFFAOYSA-N
Canonic Smiles
F[B-](c1ccccc1OCc1ccccc1)(F)F.[K+]
Isomeric Smiles
[K+].[B-](c1ccccc1OCc1ccccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6536
LogD (pH = 7.4)
3.6536
Log P
3.6536
Molar Refractivity
61.054
Polarizability
23.88173
Polar Surface Area
9.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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