Molecule

ID:94369

General Information
Structure
MolImage
Molecular Formula
C₆H₃BCl₂F₃K
Molecular Mass
252.8985296
Exact Mass
251.9294022
Charge
0
InChI
InChI=1S/C6H3BCl2F3.K/c8-4-1-2-5(6(9)3-4)7(10,11)12;/h1-3H;/q-1;+1
InChIKey
MASOPVJEJIORDH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)[B-](F)(F)F.[K+]
Isomeric Smiles
Clc1cc(c(cc1)[B-](F)(F)F)Cl.[K+]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1657
LogD (pH = 7.4)
3.1657
Log P
3.1657
Molar Refractivity
39.5878
Polarizability
15.867448
Polar Surface Area
0.0
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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