Molecule

ID:98004

General Information
Structure
MolImage
Molecular Formula
C₄H₇BF₃KO₂
Molecular Mass
194.0016896
Exact Mass
194.0128262
Charge
0
InChI
InChI=1S/C4H7BF3O2.K/c1-10-4(9)2-3-5(6,7)8;/h2-3H2,1H3;/q-1;+1
InChIKey
NPWJZDRICBCMOK-UHFFFAOYSA-N
Canonic Smiles
F[B-](CCC(=O)OC)(F)F.[K+]
Isomeric Smiles
[K+].O(C(=O)CC[B-](F)(F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.2636
LogD (pH = 7.4)
0.2636
Log P
0.2636
Molar Refractivity
25.5061
Polarizability
10.796431
Polar Surface Area
26.3
Rotatable Bonds
4
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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