Molecule

ID:99419

General Information
Structure
MolImage
Molecular Formula
C₇H₃BF₇K
Molecular Mass
269.9968424
Exact Mass
269.98530972
Charge
0
InChI
InChI=1S/C7H3BF7.K/c9-6-3-4(7(10,11)12)1-2-5(6)8(13,14)15;/h1-3H;/q-1;+1
InChIKey
NKFIFIUHQRJHJP-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(ccc1[B-](F)(F)F)C(F)(F)F.[K+]
Isomeric Smiles
[B-](c1c(cc(cc1)C(F)(F)F)F)(F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.152
LogD (pH = 7.4)
3.152
Log P
3.152
Molar Refractivity
36.1683
Polarizability
13.554756
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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