Molecule

ID:97998

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁BF₃K
Molecular Mass
178.0453496
Exact Mass
178.05429709
Charge
0
InChI
InChI=1S/C5H11BF3.K/c1-5(2,3)4-6(7,8)9;/h4H2,1-3H3;/q-1;+1
InChIKey
QPXOGXAOXXGHLX-UHFFFAOYSA-N
Canonic Smiles
F[B-](CC(C)(C)C)(F)F.[K+]
Isomeric Smiles
[B-](CC(C)(C)C)(F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.2282
LogD (pH = 7.4)
2.2282
Log P
2.2282
Molar Refractivity
28.0953
Polarizability
11.54023
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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