Molecule

ID:7678

General Information
Structure
MolImage
Molecular Formula
C₆ClF₁₂I
Molecular Mass
462.4025084
Exact Mass
461.85416432
Charge
0
InChI
InChI=1S/C6ClF12I/c7-5(16,17)3(12,13)1(8,9)2(10,11)4(14,15)6(18,19)20
InChIKey
MKLCOZPKBKKNKG-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(C(Cl)(F)F)F
Isomeric Smiles
C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.758
LogD (pH = 7.4)
5.758
Log P
5.758
Molar Refractivity
49.3507
Polarizability
19.577278
Polar Surface Area
0.0
Rotatable Bonds
5
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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