Molecule

ID:32601

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁BF₂O₃
Molecular Mass
264.0324464
Exact Mass
264.07693105
Charge
0
InChI
InChI=1S/C13H11BF2O3/c15-11-7-13(12(16)6-10(11)14(17)18)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChIKey
HLUICRYLUTUUEO-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(B(O)O)c(cc1OCc1ccccc1)F
Isomeric Smiles
c1(c(cc(c(c1)F)OCc1ccccc1)F)B(O)O
Calculated Properties
JChem
Acid pKa
8.15951
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.441755
LogD (pH = 7.4)
3.373369
Log P
3.4427
Molar Refractivity
62.1121
Polarizability
25.029047
Polar Surface Area
49.69
Rotatable Bonds
4
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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