Molecule

ID:9143

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₂I
Molecular Mass
239.9892964
Exact Mass
239.92475454
Charge
0
InChI
InChI=1S/C6H3F2I/c7-5-2-1-4(9)3-6(5)8/h1-3H
InChIKey
KSASJELKLBIMSG-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1)F)F
Isomeric Smiles
c1(ccc(cc1F)I)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1875942
LogD (pH = 7.4)
3.1875942
Log P
3.1875942
Molar Refractivity
39.8533
Polarizability
15.255932
Polar Surface Area
0.0
Rotatable Bonds
0
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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