Molecule

ID:94372

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃BF₃K
Molecular Mass
240.1147296
Exact Mass
240.06994716
Charge
0
InChI
InChI=1S/C10H13BF3.K/c1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;/h3-6,8H,7H2,1-2H3;/q-1;+1
InChIKey
COGDRBMWAZHXHO-UHFFFAOYSA-N
Canonic Smiles
F[B-](c1ccc(cc1)CC(C)C)(F)F.[K+]
Isomeric Smiles
[B-](c1ccc(cc1)CC(C)C)(F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.72
LogD (pH = 7.4)
3.72
Log P
3.72
Molar Refractivity
48.77
Polarizability
19.067781
Polar Surface Area
0.0
Rotatable Bonds
3
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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