Molecule

ID:98152

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃BFNO₄
Molecular Mass
289.0667232
Exact Mass
289.09216652
Charge
0
InChI
InChI=1S/C14H13BFNO4/c16-12-8-11(15(19)20)6-7-13(12)17-14(18)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,17,18)
InChIKey
WAIJUOHEXSJBQE-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1F)B(O)O)OCc1ccccc1
Isomeric Smiles
B(c1cc(c(cc1)NC(=O)OCc1ccccc1)F)(O)O
Calculated Properties
JChem
Acid pKa
8.603284
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
3.5063596
LogD (pH = 7.4)
3.4804606
Log P
3.5067
Molar Refractivity
71.9191
Polarizability
28.398623
Polar Surface Area
78.79
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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