Molecule

ID:99132

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁F₁₃O
Molecular Mass
406.1836816
Exact Mass
406.06023183
Charge
0
InChI
InChI=1S/C11H11F13O/c12-6(13,4-2-1-3-5-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h25H,1-5H2
InChIKey
SMQWZVBJTNTJHH-UHFFFAOYSA-N
Canonic Smiles
OCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
OCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.177491
LogD (pH = 7.4)
5.177491
Log P
5.177491
Molar Refractivity
55.8738
Polarizability
21.021793
Polar Surface Area
20.23
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
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Molecule Details
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References
Bioactivity
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