Molecule

ID:94645

General Information
Structure
MolImage
Molecular Formula
C₇F₁₅IO
Molecular Mass
511.954818
Exact Mass
511.87543592
Charge
0
InChI
InChI=1S/C7F15IO/c8-1(9,6(19,20)23)2(10,11)7(21,22)24-3(12,4(13,14)15)5(16,17)18
InChIKey
FBDUOBZWJVSNCX-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)(C(F)(F)F)OC(C(C(C(I)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)C(C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.541
LogD (pH = 7.4)
6.541
Log P
6.541
Molar Refractivity
51.9952
Polarizability
20.542591
Polar Surface Area
9.23
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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