Molecule

ID:98981

General Information
Structure
MolImage
Molecular Formula
C₇HF₁₂IO₃
Molecular Mass
487.9663484
Exact Mass
487.87788053
Charge
0
InChI
InChI=1S/C7HF12IO3/c8-2(9,1(21)22)3(10,11)4(12,13)6(16,17)23-7(18,19)5(14,15)20/h(H,21,22)
InChIKey
CDMHOXRIGWSKAZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(C(C(OC(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
IC(C(OC(C(C(C(F)(F)C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
-1.5923162
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6132661
LogD (pH = 7.4)
1.6130999
Log P
5.2941
Molar Refractivity
52.8063
Polarizability
21.031229
Polar Surface Area
46.53
Rotatable Bonds
7
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
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References
Bioactivity
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