Molecule

ID:7695

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₁₂I
Molecular Mass
441.9840284
Exact Mass
441.90878674
Charge
0
InChI
InChI=1S/C7H3F12I/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-20/h2H,1H2
InChIKey
SSWJUMWKQPCAEB-UHFFFAOYSA-N
Canonic Smiles
ICC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(CI)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
19.78678
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.0367284
LogD (pH = 7.4)
5.0367284
Log P
5.0367284
Molar Refractivity
47.7093
Polarizability
19.161667
Polar Surface Area
0.0
Rotatable Bonds
6
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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