Molecule

ID:98011

General Information
Structure
MolImage
Molecular Formula
C₂H₅BF₃KO
Molecular Mass
151.9650096
Exact Mass
152.00226152
Charge
0
InChI
InChI=1S/C2H5BF3O.K/c1-7-2-3(4,5)6;/h2H2,1H3;/q-1;+1
InChIKey
WNVXSBCLLHGATG-UHFFFAOYSA-N
Canonic Smiles
F[B-](COC)(F)F.[K+]
Isomeric Smiles
O(C)C[B-](F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6871
LogD (pH = 7.4)
0.6871
Log P
0.6871
Molar Refractivity
16.2404
Polarizability
7.0697584
Polar Surface Area
9.23
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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