Molecule

ID:98792

General Information
Structure
MolImage
Molecular Formula
C₉H₄F₁₅I
Molecular Mass
524.008578
Exact Mass
523.91182143
Charge
0
InChI
InChI=1S/C9H4F15I/c10-3(11,1-2-25)5(13,14)7(17,18)6(15,16)4(12,8(19,20)21)9(22,23)24/h1-2H2
InChIKey
TWQMZHBMFUUHQN-UHFFFAOYSA-N
Canonic Smiles
ICCC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(C(CCI)(F)F)(F)F)(F)F)(F)C(F)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.61938
LogD (pH = 7.4)
6.61938
Log P
6.61938
Molar Refractivity
57.7285
Polarizability
22.827145
Polar Surface Area
0.0
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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