Molecule

ID:98003

General Information
Structure
MolImage
Molecular Formula
C₅H₉BF₃KO₂
Molecular Mass
208.0282696
Exact Mass
208.02847627
Charge
0
InChI
InChI=1S/C5H9BF3O2.K/c1-2-11-5(10)3-4-6(7,8)9;/h2-4H2,1H3;/q-1;+1
InChIKey
VOFZXFUJDBDILR-UHFFFAOYSA-N
Canonic Smiles
F[B-](CCC(=O)OCC)(F)F.[K+]
Isomeric Smiles
O(C(=O)CC[B-](F)(F)F)CC.[K+]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6061
LogD (pH = 7.4)
0.6061
Log P
0.6061
Molar Refractivity
30.2547
Polarizability
12.554259
Polar Surface Area
26.3
Rotatable Bonds
5
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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