Molecule

ID:98787

General Information
Structure
MolImage
Molecular Formula
C₁₃H₄F₂₃I
Molecular Mass
724.0386036
Exact Mass
723.89904719
Charge
0
InChI
InChI=1S/C13H4F23I/c14-3(15,1-2-37)5(17,18)7(21,22)9(25,26)11(29,30)10(27,28)8(23,24)6(19,20)4(16,12(31,32)33)13(34,35)36/h1-2H2
InChIKey
HDJVNLHEEQBBJS-UHFFFAOYSA-N
Canonic Smiles
ICCC(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(F)(C(F)(F)C(C(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F)(F)F)F)(F)C(C(F)(F)F)(F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
9.42195
LogD (pH = 7.4)
9.42195
Log P
9.42195
Molar Refractivity
76.4005
Polarizability
30.466763
Polar Surface Area
0.0
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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