Molecule

ID:8347

General Information
Structure
MolImage
Molecular Formula
C₆H₆BFO₂
Molecular Mass
139.9200432
Exact Mass
140.04448805
Charge
0
InChI
InChI=1S/C6H6BFO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
InChIKey
KNXQDJCZSVHEIW-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)B(O)O
Isomeric Smiles
c1cc(cc(c1)B(O)O)F
Calculated Properties
JChem
Acid pKa
8.591208
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.77895
LogD (pH = 7.4)
1.7523438
Log P
1.7793
Molar Refractivity
30.8199
Polarizability
13.228806
Polar Surface Area
40.46
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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