Molecule

ID:95509

General Information
Structure
MolImage
Molecular Formula
C₂₄H₁₈B₂Cl₄F₈N₂
Molecular Mass
649.8343456
Exact Mass
648.02824587
Charge
0
InChI
InChI=1S/C24H18Cl4N2.2BF4/c25-21-3-1-4-22(26)19(21)15-29-11-7-17(8-12-29)18-9-13-30(14-10-18)16-20-23(27)5-2-6-24(20)28;2*2-1(3,4)5/h1-14H,15-16H2;;/q+2;2*-1
InChIKey
LJFRFASSWXBAJZ-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.F[B-](F)(F)F.Clc1cccc(c1C[n+]1ccc(cc1)c1cc[n+](cc1)Cc1c(Cl)cccc1Cl)Cl
Isomeric Smiles
[n+]1(ccc(cc1)c1cc[n+](cc1)Cc1c(cccc1Cl)Cl)Cc1c(cccc1Cl)Cl.[B-](F)(F)(F)F.[B-](F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-0.83648545
LogD (pH = 7.4)
-0.83648545
Log P
-0.83648545
Molar Refractivity
127.6356
Polarizability
50.153557
Polar Surface Area
7.76
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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