Molecule

ID:99042

General Information
Structure
MolImage
Molecular Formula
C₉F₁₉IO
Molecular Mass
611.9698308
Exact Mass
611.8690488
Charge
0
InChI
InChI=1S/C9F19IO/c10-1(11,3(14,15)8(25,26)29)2(12,13)4(16,17)9(27,28)30-5(18,6(19,20)21)7(22,23)24
InChIKey
LFJNSTDXWXWXRL-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)F)F
Isomeric Smiles
O(C(C(F)(F)F)(C(F)(F)F)F)C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.21
LogD (pH = 7.4)
8.21
Log P
8.21
Molar Refractivity
61.3312
Polarizability
24.37407
Polar Surface Area
9.23
Rotatable Bonds
9
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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