Molecule

ID:93614

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂F₁₃I
Molecular Mass
530.1073916
Exact Mass
529.97761524
Charge
0
InChI
InChI=1S/C12H12F13I/c1-2-3-4-6(26)5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h6H,2-5H2,1H3
InChIKey
BEQLOSVHRBTANS-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
Isomeric Smiles
FC(F)(F)C(F)(F)C(C(C(F)(C(CC(CCCC)I)(F)F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.9048576
LogD (pH = 7.4)
7.9048576
Log P
7.9048576
Molar Refractivity
70.9804
Polarizability
27.467716
Polar Surface Area
0.0
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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