Molecule

ID:98623

General Information
Structure
MolImage
Molecular Formula
CH₂BF₃IK
Molecular Mass
247.8355596
Exact Mass
247.8883448
Charge
0
InChI
InChI=1S/CH2BF3I.K/c3-2(4,5)1-6;/h1H2;/q-1;+1
InChIKey
WQJVWRYIXQXISQ-UHFFFAOYSA-N
Canonic Smiles
F[B-](CI)(F)F.[K+]
Isomeric Smiles
[B-](F)(F)(CI)F.[K+]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.0904
LogD (pH = 7.4)
2.0904
Log P
2.0904
Molar Refractivity
22.6232
Polarizability
10.101132
Polar Surface Area
0.0
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
No Data Available
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Molecule Details
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References
Bioactivity
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