Molecule

ID:11994

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₁₅I
Molecular Mass
538.035158
Exact Mass
537.92747149
Charge
0
InChI
InChI=1S/C10H6F15I/c1-3(26)2-4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h3H,2H2,1H3
InChIKey
NUNKCHDMLFIONG-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
Isomeric Smiles
C(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(I)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.1938405
LogD (pH = 7.4)
7.1938405
Log P
7.1938405
Molar Refractivity
61.9224
Polarizability
24.43421
Polar Surface Area
0.0
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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