Molecule

ID:65655

General Information
Structure
MolImage
Molecular Formula
C₈H₃F₃I₂N₂
Molecular Mass
437.9269696
Exact Mass
437.83377877
Charge
0
InChI
InChI=1S/C8H3F3I2N2/c9-8(10,11)3-1-14-7-5(6(3)13)4(12)2-15-7/h1-2H,(H,14,15)
InChIKey
ZLYKZZFHRXJRHH-UHFFFAOYSA-N
Canonic Smiles
FC(c1cnc2c(c1I)c(I)c[nH]2)(F)F
Isomeric Smiles
c1(cnc2c(c1I)c(c[nH]2)I)C(F)(F)F
Calculated Properties
JChem
Acid pKa
13.139712
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.9575114
LogD (pH = 7.4)
3.9575338
Log P
3.9575348
Molar Refractivity
67.6389
Polarizability
26.276302
Polar Surface Area
28.68
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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