Molecule

ID:6750

General Information
Structure
Molecular Formula
C₁₄H₆F₂₀O₂
Molecular Mass
586.164304
Exact Mass
586.00484383
Charge
0
InChI
InChI=1S/C14H6F20O2/c1-2-4(35)36-3-6(17,18)8(21,22)10(25,26)12(29,30)14(33,34)13(31,32)11(27,28)9(23,24)7(19,20)5(15)16/h2,5H,1,3H2
InChIKey
ASJLMYWCUSHRIW-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)OCC(C(C(C(C(C(C(C(C(C(F)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(COC(=O)C=C)(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
19.78678
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.6842947
LogD (pH = 7.4)
7.6842947
Log P
7.6842947
Molar Refractivity
68.6329
Polarizability
26.943449
Polar Surface Area
26.3
Rotatable Bonds
13
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
References
Bioactivity
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