Molecule

ID:98789

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₁₅IO
Molecular Mass
554.034558
Exact Mass
553.92238611
Charge
0
InChI
InChI=1S/C10H6F15IO/c11-4(12,1-3(26)2-27)6(14,15)8(18,19)7(16,17)5(13,9(20,21)22)10(23,24)25/h3,27H,1-2H2
InChIKey
MGICORPGWNJZPY-UHFFFAOYSA-N
Canonic Smiles
OCC(CC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)I
Isomeric Smiles
FC(C(C(C(CC(CO)I)(F)F)(F)F)(F)F)(F)C(F)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
14.607741
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.807313
LogD (pH = 7.4)
5.807313
Log P
5.807313
Molar Refractivity
63.8172
Polarizability
25.219131
Polar Surface Area
20.23
Rotatable Bonds
9
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
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References
Bioactivity
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