Molecule

ID:6489

General Information
Structure
Molecular Formula
C₉H₁₂F₇I
Molecular Mass
380.0848724
Exact Mass
379.98719592
Charge
0
InChI
InChI=1S/C9H12F7I/c1-2-3-4-6(17)5-7(10,11)8(12,13)9(14,15)16/h6H,2-5H2,1H3
InChIKey
OREPMMRTKSCBPA-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CC(C(C(F)(F)F)(F)F)(F)F)I
Isomeric Smiles
C(F)(CC(I)CCCC)(C(C(F)(F)F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.8029294
LogD (pH = 7.4)
5.8029294
Log P
5.8029294
Molar Refractivity
56.9764
Polarizability
21.92704
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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