Molecule

ID:8995

General Information
Structure
MolImage
Molecular Formula
C₁₁HF₂₃O₃
Molecular Mass
618.0871136
Exact Mass
617.95584295
Charge
0
InChI
InChI=1S/C11HF23O3/c12-1(2(13,14)15)35-10(31,32)4(18,7(23,24)25)37-11(33,34)5(19,8(26,27)28)36-9(29,30)3(16,17)6(20,21)22/h1H
InChIKey
QRLOKTBZZPZAMX-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)(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(C(F)(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
3
H Donor
0
LogD (pH = 5.5)
8.752976
LogD (pH = 7.4)
8.752976
Log P
8.752976
Molar Refractivity
62.4254
Polarizability
24.331192
Polar Surface Area
27.69
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
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Molecule Details
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References
Bioactivity
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