Molecule

ID:101654

General Information
Structure
MolImage
Molecular Formula
C₉H₆BF₃KN
Molecular Mass
235.0551496
Exact Mass
235.01824594
Charge
0
InChI
InChI=1S/C9H6BF3N.K/c11-10(12,13)9-6-14-5-7-3-1-2-4-8(7)9;/h1-6H;/q-1;+1
InChIKey
QEIOJGBGINOBGG-UHFFFAOYSA-N
Canonic Smiles
F[B-](c1cncc2c1cccc2)(F)F.[K+]
Isomeric Smiles
c1([B-](F)(F)F)c2c(cnc1)cccc2.[K+]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7370778
LogD (pH = 7.4)
1.8188281
Log P
1.82
Molar Refractivity
44.2715
Polarizability
18.35685
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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