Molecule

ID:93999

General Information
Structure
MolImage
Molecular Formula
C₈H₇BF₃KO₂
Molecular Mass
242.0444896
Exact Mass
242.0128262
Charge
0
InChI
InChI=1S/C8H7BF3O2.K/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12;/h2-5H,1H3;/q-1;+1
InChIKey
IQYSKWRPRJKKAG-UHFFFAOYSA-N
Canonic Smiles
F[B-](c1ccc(cc1)C(=O)OC)(F)F.[K+]
Isomeric Smiles
[B-](c1ccc(cc1)C(=O)OC)(F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2773
LogD (pH = 7.4)
2.2773
Log P
2.2773
Molar Refractivity
42.0035
Polarizability
16.427963
Polar Surface Area
26.3
Rotatable Bonds
3
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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