Molecule

ID:45014

General Information
Structure
MolImage
Molecular Formula
CH₂BBrF₃K
Molecular Mass
200.8350896
Exact Mass
199.9022088
Charge
0
InChI
InChI=1S/CH2BBrF3.K/c3-1-2(4,5)6;/h1H2;/q-1;+1
InChIKey
AZDFPIRYUOCVCJ-UHFFFAOYSA-N
Canonic Smiles
F[B-](CBr)(F)F.[K+]
Isomeric Smiles
BrC[B-](F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.6188
LogD (pH = 7.4)
1.6188
Log P
1.6188
Molar Refractivity
17.5237
Polarizability
7.787945
Polar Surface Area
0.0
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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