Molecule

ID:130632

General Information
Structure
MolImage
Molecular Formula
C₆H₃BCl₂F₄N₂
Molecular Mass
260.8120328
Exact Mass
259.97024675
Charge
0
InChI
InChI=1S/C6H3Cl2N2.BF4/c7-4-1-5(8)3-6(2-4)10-9;2-1(3,4)5/h1-3H;/q+1;-1
InChIKey
XSVOZXRITFTBIY-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.Clc1cc([N+]#N)cc(c1)Cl
Isomeric Smiles
[B-](F)(F)(F)F.c1c(cc(cc1Cl)Cl)[N+]#N
Calculated Properties
JChem
Acid pKa
17.175951
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0178287
LogD (pH = 7.4)
3.0178287
Log P
3.0178287
Molar Refractivity
61.3137
Polarizability
15.490108
Polar Surface Area
28.15
Rotatable Bonds
0
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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