Molecule

ID:71342

General Information
Structure
MolImage
Molecular Formula
C₄H₃BF₃KN₂
Molecular Mass
185.9845296
Exact Mass
185.99784485
Charge
0
InChI
InChI=1S/C4H3BF3N2.K/c6-5(7,8)4-1-9-3-10-2-4;/h1-3H;/q-1;+1
InChIKey
FLVBHQQPIJARSC-UHFFFAOYSA-N
Canonic Smiles
F[B-](c1cncnc1)(F)F.[K+]
Isomeric Smiles
[B-](c1cncnc1)(F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.0038152398
LogD (pH = 7.4)
-0.00350397
Log P
-0.0035
Molar Refractivity
26.6425
Polarizability
10.351677
Polar Surface Area
25.78
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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