Molecule

ID:8538

General Information
Structure
Molecular Formula
C₉F₁₉I
Molecular Mass
595.9704308
Exact Mass
595.87413418
Charge
0
InChI
InChI=1S/C9F19I/c10-1(7(21,22)23,8(24,25)26)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)9(27,28)29
InChIKey
VRJGWRPPKVEMMR-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.3475
LogD (pH = 7.4)
7.3475
Log P
7.3475
Molar Refractivity
58.794
Polarizability
23.54386
Polar Surface Area
0.0
Rotatable Bonds
8
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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