Molecule

ID:98953

General Information
Structure
MolImage
Molecular Formula
C₆H₅BFIO₂
Molecular Mass
265.8165732
Exact Mass
265.94113602
Charge
0
InChI
InChI=1S/C6H5BFIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,10-11H
InChIKey
QZPDCZSOVJLEKB-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1)B(O)O)F
Isomeric Smiles
B(c1c(ccc(c1)I)F)(O)O
Calculated Properties
JChem
Acid pKa
8.11953
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.768864
LogD (pH = 7.4)
2.6944306
Log P
2.7699
Molar Refractivity
44.1824
Polarizability
18.629646
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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