Molecule

ID:7884

General Information
Structure
MolImage
Molecular Formula
C₁₂F₂₅I
Molecular Mass
745.99295
Exact Mass
745.8645535
Charge
0
InChI
InChI=1S/C12F25I/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)38
InChIKey
WBYCUETVRCXUPE-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
10.5786
LogD (pH = 7.4)
10.5786
Log P
10.5786
Molar Refractivity
72.5239
Polarizability
29.292446
Polar Surface Area
0.0
Rotatable Bonds
11
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
References
Bioactivity
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