Molecule

ID:93981

General Information
Structure
MolImage
Molecular Formula
C₇H₇BF₃K
Molecular Mass
198.0349896
Exact Mass
198.02299696
Charge
0
InChI
InChI=1S/C7H7BF3.K/c1-6-4-2-3-5-7(6)8(9,10)11;/h2-5H,1H3;/q-1;+1
InChIKey
ROMUTKWSUQKVLS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1[B-](F)(F)F.[K+]
Isomeric Smiles
[B-](c1ccccc1C)(F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.5969
LogD (pH = 7.4)
2.5969
Log P
2.5969
Molar Refractivity
35.0194
Polarizability
13.620187
Polar Surface Area
0.0
Rotatable Bonds
1
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
References
Bioactivity
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