Molecule

ID:95113

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₂IO
Molecular Mass
255.9886964
Exact Mass
255.91966916
Charge
0
InChI
InChI=1S/C6H3F2IO/c7-5-3(9)1-2-4(10)6(5)8/h1-2,10H
InChIKey
IXJVMKIJWFFXCR-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1F)F)I
Isomeric Smiles
Oc1c(c(c(cc1)I)F)F
Calculated Properties
JChem
Acid pKa
7.1728597
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8749778
LogD (pH = 7.4)
2.4607885
Log P
2.884029
Molar Refractivity
41.8342
Polarizability
16.007835
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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