Molecule

ID:99138

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₁₃IO
Molecular Mass
532.0802116
Exact Mass
531.9568798
Charge
0
InChI
InChI=1S/C11H10F13IO/c12-6(13,4-5(25)2-1-3-26)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5,26H,1-4H2
InChIKey
FPLJNGUIASXYLD-UHFFFAOYSA-N
Canonic Smiles
OCCCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
Isomeric Smiles
OCCCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)I
Calculated Properties
JChem
Acid pKa
15.973019
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
6.02361
LogD (pH = 7.4)
6.02361
Log P
6.02361
Molar Refractivity
68.3081
Polarizability
26.590887
Polar Surface Area
20.23
Rotatable Bonds
10
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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