Molecule

ID:96943

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BFNO₃
Molecular Mass
239.0511032
Exact Mass
239.11290197
Charge
0
InChI
InChI=1S/C11H15BFNO3/c1-11(2,3)14-10(15)8-5-4-7(12(16)17)6-9(8)13/h4-6,16-17H,1-3H3,(H,14,15)
InChIKey
JTJHFZWCZVEKGI-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1F)B(O)O)NC(C)(C)C
Isomeric Smiles
B(c1cc(c(cc1)C(=O)NC(C)(C)C)F)(O)O
Calculated Properties
JChem
Acid pKa
8.468833
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.5102361
LogD (pH = 7.4)
1.4753171
Log P
1.5107
Molar Refractivity
58.6006
Polarizability
23.448027
Polar Surface Area
69.56
Rotatable Bonds
3
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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