Molecule

ID:100054

General Information
Structure
MolImage
Molecular Formula
C₆H₃FI₂
Molecular Mass
347.8953632
Exact Mass
347.83082432
Charge
0
InChI
InChI=1S/C6H3FI2/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey
YWDQZXYXZFFYJQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)I)I
Isomeric Smiles
Fc1ccc(c(c1)I)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9738367
LogD (pH = 7.4)
3.9738367
Log P
3.9738367
Molar Refractivity
52.9994
Polarizability
20.908754
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
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References
Bioactivity
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