Molecule

ID:32800

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀BFO₂
Molecular Mass
216.0160032
Exact Mass
216.07578818
Charge
0
InChI
InChI=1S/C12H10BFO2/c14-12-8-10(6-7-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,15-16H
InChIKey
JUHFAPMMWMSLKH-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(cc1F)c1ccccc1)O
Isomeric Smiles
c1(cc(c(cc1)B(O)O)F)c1ccccc1
Calculated Properties
JChem
Acid pKa
8.205435
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.4628496
LogD (pH = 7.4)
3.400849
Log P
3.4637
Molar Refractivity
55.9561
Polarizability
24.137463
Polar Surface Area
40.46
Rotatable Bonds
2
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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