Molecule

ID:94002

General Information
Structure
MolImage
Molecular Formula
C₇H₇BF₃KO
Molecular Mass
214.0343896
Exact Mass
214.01791158
Charge
0
InChI
InChI=1S/C7H7BF3O.K/c1-12-7-4-2-3-6(5-7)8(9,10)11;/h2-5H,1H3;/q-1;+1
InChIKey
GKDCWEPJOSDGHY-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)[B-](F)(F)F.[K+]
Isomeric Smiles
[B-](c1cc(ccc1)OC)(F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.877
LogD (pH = 7.4)
1.877
Log P
1.877
Molar Refractivity
36.4414
Polarizability
14.450308
Polar Surface Area
9.23
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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