Molecule

ID:94534

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClF₁₃I
Molecular Mass
508.4461316
Exact Mass
507.87604264
Charge
0
InChI
InChI=1S/C8H3ClF13I/c9-2(23)1-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h2H,1H2
InChIKey
BOSZYGJIYJRLRJ-UHFFFAOYSA-N
Canonic Smiles
ClC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
Isomeric Smiles
IC(Cl)CC(F)(F)C(F)(F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.9938245
LogD (pH = 7.4)
6.9938245
Log P
6.9938245
Molar Refractivity
57.0591
Polarizability
22.887213
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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