Molecule

ID:7106

General Information
Structure
MolImage
Molecular Formula
C₄H₂ClF₆I
Molecular Mass
326.4065692
Exact Mass
325.87939506
Charge
0
InChI
InChI=1S/C4H2ClF6I/c5-1-2(12,3(6,7)8)4(9,10)11/h1H2
InChIKey
QZSSUYHNDADQHZ-UHFFFAOYSA-N
Canonic Smiles
ClCC(C(F)(F)F)(C(F)(F)F)I
Isomeric Smiles
C(CCl)(C(F)(F)F)(C(F)(F)F)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.80245
LogD (pH = 7.4)
3.80245
Log P
3.80245
Molar Refractivity
39.4462
Polarizability
15.452444
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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