Molecule

ID:64174

General Information
Structure
MolImage
Molecular Formula
C₅H₅BFNO₂
Molecular Mass
140.9081032
Exact Mass
141.03973703
Charge
0
InChI
InChI=1S/C5H5BFNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3,9-10H
InChIKey
WXGBZJJAGLSBPR-UHFFFAOYSA-N
Canonic Smiles
Fc1nccc(c1)B(O)O
Isomeric Smiles
c1c(B(O)O)ccnc1F
Calculated Properties
JChem
Acid pKa
8.393371
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.92404824
LogD (pH = 7.4)
0.882816
Log P
0.9246
Molar Refractivity
29.6777
Polarizability
12.3979225
Polar Surface Area
53.35
Rotatable Bonds
1
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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