Molecule

ID:9854

General Information
Structure
MolImage
Molecular Formula
C₁₁HF₂₁O₂
Molecular Mass
564.0909072
Exact Mass
563.96412189
Charge
0
InChI
InChI=1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)
InChIKey
SIDINRCMMRKXGQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(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)F
Isomeric Smiles
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)(C(F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
-5.1979723
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6852999
LogD (pH = 7.4)
3.6852996
Log P
7.2147675
Molar Refractivity
55.6659
Polarizability
22.468233
Polar Surface Area
37.3
Rotatable Bonds
10
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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