Molecule

ID:8876

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀F₇I
Molecular Mass
378.0689924
Exact Mass
377.97154586
Charge
0
InChI
InChI=1S/C9H10F7I/c10-7(11,8(12,13)9(14,15)16)5-3-1-2-4-6(5)17/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKey
OPDPCHBOZHWKOZ-PHDIDXHHSA-N
Canonic Smiles
I[C@@H]1CCCC[C@H]1C(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
C1CC[C@H]([C@@H](C1)I)C(C(C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.2687864
LogD (pH = 7.4)
5.2687864
Log P
5.2687864
Molar Refractivity
55.1964
Polarizability
21.298067
Polar Surface Area
0.0
Rotatable Bonds
3
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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