Molecule

ID:94382

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃BF₃KO
Molecular Mass
304.1569296
Exact Mass
304.06486178
Charge
0
InChI
InChI=1S/C14H13BF3O.K/c1-11-9-13(7-8-14(11)15(16,17)18)19-10-12-5-3-2-4-6-12;/h2-9H,10H2,1H3;/q-1;+1
InChIKey
DTQQBUOEJZXEBN-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OCc2ccccc2)ccc1[B-](F)(F)F.[K+]
Isomeric Smiles
[K+].[B-](c1c(cc(cc1)OCc1ccccc1)C)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1208
LogD (pH = 7.4)
4.1208
Log P
4.1208
Molar Refractivity
66.0952
Polarizability
25.632866
Polar Surface Area
9.23
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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