Molecule

ID:7777

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂F₂₀O₂
Molecular Mass
546.100444
Exact Mass
545.9735437
Charge
0
InChI
InChI=1S/C11H2F20O2/c12-1(13)3(14,15)5(18,19)7(22,23)9(26,27)11(30,31)10(28,29)8(24,25)6(20,21)4(16,17)2(32)33/h1H,(H,32,33)
InChIKey
MMYNPHSPRPZSSN-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(C(C(C(C(=O)O)(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(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
-5.197846
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1965394
LogD (pH = 7.4)
3.1965392
Log P
6.726007
Molar Refractivity
54.7762
Polarizability
22.279541
Polar Surface Area
37.3
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
No Data Available
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Molecule Details
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References
Bioactivity
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