Molecule

ID:8993

General Information
Structure
Molecular Formula
C₂₀HF₄₁O₆
Molecular Mass
1116.1528712
Exact Mass
1115.91184477
Charge
0
InChI
InChI=1S/C20HF41O6/c21-1(2(22,23)24)62-16(52,53)4(27,10(35,36)37)64-18(56,57)6(29,12(41,42)43)66-20(60,61)8(31,14(47,48)49)67-19(58,59)7(30,13(44,45)46)65-17(54,55)5(28,11(38,39)40)63-15(50,51)3(25,26)9(32,33)34/h1H
InChIKey
RPIANCZCOWLFSM-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F
Isomeric Smiles
O(C(C(F)(F)F)F)C(C(OC(C(OC(C(OC(C(OC(C(OC(C(F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F
Calculated Properties
JChem
Acid pKa
18.865005
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
15.912996
LogD (pH = 7.4)
15.912996
Log P
15.912996
Molar Refractivity
112.8713
Polarizability
44.080147
Polar Surface Area
55.38
Rotatable Bonds
25
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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