Molecule

ID:9860

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈B₂F₁₀N₂
Molecular Mass
367.789952
Exact Mass
368.07139127
Charge
0
InChI
InChI=1S/C10H8F2N2.2BF4/c11-13-7-3-1-5-9(13)10-6-2-4-8-14(10)12;2*2-1(3,4)5/h1-8H;;/q+2;2*-1
InChIKey
IDFABAACDRPWQX-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.F[B-](F)(F)F.F[n+]1ccccc1c1cccc[n+]1F
Isomeric Smiles
c1(c2cccc[n+]2F)cccc[n+]1F.F[B-](F)(F)F.F[B-](F)(F)F
Calculated Properties
JChem
Acid pKa
14.012319
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-3.5962296
LogD (pH = 7.4)
-3.5962296
Log P
-3.5962296
Molar Refractivity
53.3768
Polarizability
19.254253
Polar Surface Area
7.76
Rotatable Bonds
1
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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