Molecule

ID:8830

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₈I₂
Molecular Mass
509.9452856
Exact Mass
509.85877202
Charge
0
InChI
InChI=1S/C8H8F8I2/c9-5(10,1-3-17)7(13,14)8(15,16)6(11,12)2-4-18/h1-4H2
InChIKey
IGGDHHHKQANRAY-UHFFFAOYSA-N
Canonic Smiles
ICCC(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(CC(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.0752277
LogD (pH = 7.4)
6.0752277
Log P
6.0752277
Molar Refractivity
64.6956
Polarizability
25.866789
Polar Surface Area
0.0
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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