Molecule

ID:99880

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈F₁₃IO
Molecular Mass
518.0536316
Exact Mass
517.94122974
Charge
0
InChI
InChI=1S/C10H8F13IO/c11-5(12,3-4(24)1-2-25)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4,25H,1-3H2
InChIKey
JOBQGMQWGMDRPL-UHFFFAOYSA-N
Canonic Smiles
OCCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
Isomeric Smiles
OCCC(CC(F)(F)C(F)(F)C(C(F)(F)C(F)(F)C(F)(F)F)(F)F)I
Calculated Properties
JChem
Acid pKa
15.93926
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.5062475
LogD (pH = 7.4)
5.5062475
Log P
5.5062475
Molar Refractivity
63.6635
Polarizability
24.947353
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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