Molecule

ID:7256

General Information
Structure
MolImage
Molecular Formula
C₁₂H₄F₂₁I
Molecular Mass
674.0310972
Exact Mass
673.90224075
Charge
0
InChI
InChI=1S/C12H4F21I/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2
InChIKey
HVWXRMINOYZYCK-UHFFFAOYSA-N
Canonic Smiles
ICCC(C(C(C(C(C(C(C(C(C(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(CCI)(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)
8.982971
LogD (pH = 7.4)
8.982971
Log P
8.982971
Molar Refractivity
71.4584
Polarizability
28.552866
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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