Molecule

ID:12409

General Information
Structure
Molecular Formula
C₅H₅BFNO₂
Molecular Mass
140.9081032
Exact Mass
141.03973703
Charge
0
InChI
InChI=1S/C5H5BFNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H
InChIKey
OJBYZWHAPXIJID-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cn1)B(O)O
Isomeric Smiles
c1(cnc(cc1)F)B(O)O
Calculated Properties
JChem
Acid pKa
8.440563
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.924105
LogD (pH = 7.4)
0.8869379
Log P
0.9246
Molar Refractivity
29.6777
Polarizability
12.396682
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
No Data Available
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Molecule Details
References
Bioactivity
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