Molecule

ID:9017

General Information
Structure
MolImage
Molecular Formula
C₁₁H₄F₁₉I
Molecular Mass
624.0235908
Exact Mass
623.90543431
Charge
0
InChI
InChI=1S/C11H4F19I/c12-3(13,1-2-31)5(15,16)7(19,20)9(23,24)8(21,22)6(17,18)4(14,10(25,26)27)11(28,29)30/h1-2H2
InChIKey
PMGMHQUGBLUBQV-UHFFFAOYSA-N
Canonic Smiles
ICCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(C(CCI)(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)
8.020665
LogD (pH = 7.4)
8.020665
Log P
8.020665
Molar Refractivity
67.0645
Polarizability
26.644247
Polar Surface Area
0.0
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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