Molecule

ID:32724

General Information
Structure
MolImage
Molecular Formula
C₆H₅BFIO₂
Molecular Mass
265.8165732
Exact Mass
265.94113602
Charge
0
InChI
InChI=1S/C6H5BFIO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,10-11H
InChIKey
NNMDGAIATJXYFJ-UHFFFAOYSA-N
Canonic Smiles
OB(c1cccc(c1F)I)O
Isomeric Smiles
c1(c(c(ccc1)I)F)B(O)O
Calculated Properties
JChem
Acid pKa
8.126742
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.768881
LogD (pH = 7.4)
2.6955738
Log P
2.7699
Molar Refractivity
44.1824
Polarizability
18.640053
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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