Molecule

ID:97229

General Information
Structure
MolImage
Molecular Formula
C₅H₅BF₅N
Molecular Mass
184.902916
Exact Mass
185.04352067
Charge
0
InChI
InChI=1S/C5H5FN.BF4/c6-7-4-2-1-3-5-7;2-1(3,4)5/h1-5H;/q+1;-1
InChIKey
PIGQKECRKGMXRG-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.F[n+]1ccccc1
Isomeric Smiles
[n+]1(ccccc1)F.[B-](F)(F)(F)F
Calculated Properties
JChem
Acid pKa
15.413013
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-1.5551056
LogD (pH = 7.4)
-1.5551056
Log P
-1.5551056
Molar Refractivity
27.2718
Polarizability
9.315257
Polar Surface Area
3.88
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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