Molecule

ID:100104

General Information
Structure
MolImage
Molecular Formula
C₁₁H₄F₁₉IO
Molecular Mass
640.0229908
Exact Mass
639.90034893
Charge
0
InChI
InChI=1S/C11H4F19IO/c12-3(13,1-2-31)4(14,15)5(16,17)6(18,19)7(20,21)11(29,30)32-8(22,9(23,24)25)10(26,27)28/h1-2H2
InChIKey
GGAZEYOGKLDXNZ-UHFFFAOYSA-N
Canonic Smiles
ICCC(C(C(C(C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
ICCC(C(C(F)(F)C(C(F)(F)C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.567074
LogD (pH = 7.4)
8.567074
Log P
8.567074
Molar Refractivity
69.6017
Polarizability
27.478775
Polar Surface Area
9.23
Rotatable Bonds
11
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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