Molecule

ID:94209

General Information
Structure
MolImage
Molecular Formula
C₅H₅BFNO₂
Molecular Mass
140.9081032
Exact Mass
141.03973703
Charge
0
InChI
InChI=1S/C5H5BFNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3,9-10H
InChIKey
KMLSWNVKDXKWGY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(nc1)B(O)O
Isomeric Smiles
n1c(ccc(c1)F)B(O)O
Calculated Properties
JChem
Acid pKa
8.060249
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1648123
LogD (pH = 7.4)
1.0805169
Log P
1.166
Molar Refractivity
28.9765
Polarizability
12.401243
Polar Surface Area
53.35
Rotatable Bonds
1
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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