Molecule

ID:98000

General Information
Structure
MolImage
Molecular Formula
C₆H₅BF₃KO
Molecular Mass
200.0078096
Exact Mass
200.00226152
Charge
0
InChI
InChI=1S/C6H5BF3O.K/c8-7(9,10)5-3-1-2-4-6(5)11;/h1-4,11H;/q-1;+1
InChIKey
GNJVFVXTMQKQGP-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1[B-](F)(F)F.[K+]
Isomeric Smiles
[B-](c1c(cccc1)O)(F)(F)F.[K+]
Calculated Properties
JChem
Acid pKa
9.719926
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8452739
LogD (pH = 7.4)
1.8432313
Log P
1.8453
Molar Refractivity
31.9591
Polarizability
12.595548
Polar Surface Area
20.23
Rotatable Bonds
1
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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