Molecule

ID:93908

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BFO₂
Molecular Mass
189.9787232
Exact Mass
190.06013812
Charge
0
InChI
InChI=1S/C10H8BFO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6,13-14H
InChIKey
IDCGAEJGZLYEAZ-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(c2c1cccc2)F)O
Isomeric Smiles
B(c1c2ccccc2c(cc1)F)(O)O
Calculated Properties
JChem
Acid pKa
8.646187
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.7811916
LogD (pH = 7.4)
2.7576628
Log P
2.7815
Molar Refractivity
47.2701
Polarizability
20.691628
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
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Molecule Details
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References
Bioactivity
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