Molecule

ID:98053

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀F₃IO₃S
Molecular Mass
430.1813796
Exact Mass
429.93474784
Charge
0
InChI
InChI=1S/C12H10I.CHF3O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10H;(H,5,6,7)/q+1;/p-1
InChIKey
SBQIJPBUMNWUKN-UHFFFAOYSA-M
Canonic Smiles
c1ccc(cc1)[I+]c1ccccc1.FC(S(=O)(=O)[O-])(F)F
Isomeric Smiles
[I+](c1ccccc1)c1ccccc1.S(=O)(=O)(C(F)(F)F)[O-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5634055
LogD (pH = 7.4)
4.5634055
Log P
4.5634055
Molar Refractivity
64.8948
Polarizability
28.086405
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
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
References
Bioactivity
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