Molecule

ID:93995

General Information
Structure
MolImage
Molecular Formula
C₇H₅BF₃KO
Molecular Mass
212.0185096
Exact Mass
212.00226152
Charge
0
InChI
InChI=1S/C7H5BF3O.K/c9-8(10,11)7-3-1-6(5-12)2-4-7;/h1-5H;/q-1;+1
InChIKey
PEWVRVCGAOIWBB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)[B-](F)(F)F.[K+]
Isomeric Smiles
[B-](c1ccc(cc1)C=O)(F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8052
LogD (pH = 7.4)
1.8052
Log P
1.8052
Molar Refractivity
36.5622
Polarizability
13.85638
Polar Surface Area
17.07
Rotatable Bonds
2
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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