Molecule

ID:99410

General Information
Structure
MolImage
Molecular Formula
C₆H₆BFO₃
Molecular Mass
155.9194432
Exact Mass
156.03940267
Charge
0
InChI
InChI=1S/C6H6BFO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9-11H
InChIKey
UOYUUFBFEICSRZ-UHFFFAOYSA-N
Canonic Smiles
OB(c1cccc(c1O)F)O
Isomeric Smiles
B(c1c(c(ccc1)F)O)(O)O
Calculated Properties
JChem
Acid pKa
8.221512
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.4940802
LogD (pH = 7.4)
1.4338635
Log P
1.4949
Molar Refractivity
32.8008
Polarizability
13.900679
Polar Surface Area
60.69
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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