Molecule

ID:8345

General Information
Structure
MolImage
Molecular Formula
C₆H₆BFO₂
Molecular Mass
139.9200432
Exact Mass
140.04448805
Charge
0
InChI
InChI=1S/C6H6BFO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
InChIKey
LBUNNMJLXWQQBY-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(cc1)F)O
Isomeric Smiles
OB(O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
8.790703
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.7790788
LogD (pH = 7.4)
1.7620788
Log P
1.7793
Molar Refractivity
30.8199
Polarizability
13.2280445
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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