Molecule

ID:93591

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂F₇IO
Molecular Mass
396.0842724
Exact Mass
395.98211054
Charge
0
InChI
InChI=1S/C9H12F7IO/c1-2-3-4-6(17)5-7(10,8(11,12)13)18-9(14,15)16/h6H,2-5H2,1H3
InChIKey
QQQSHSLFOZIZQR-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CC(C(F)(F)F)(OC(F)(F)F)F)I
Isomeric Smiles
O(C(F)(CC(I)CCCC)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.573865
LogD (pH = 7.4)
6.573865
Log P
6.573865
Molar Refractivity
55.0476
Polarizability
22.764822
Polar Surface Area
9.23
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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