Molecule

ID:93583

General Information
Structure
MolImage
Molecular Formula
C₇H₂F₁₁IO
Molecular Mass
437.9770852
Exact Mass
437.8974731
Charge
0
InChI
InChI=1S/C7H2F11IO/c8-3(1-2-19,5(11,12)13)20-7(17,18)4(9,10)6(14,15)16/h1-2H
InChIKey
PXYZPNZRASQXPV-UHFFFAOYSA-N
Canonic Smiles
I/C=C/C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
Isomeric Smiles
O(C(C(F)(C(F)(F)F)F)(F)F)C(/C=C/I)(F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.5105796
LogD (pH = 7.4)
5.5105796
Log P
5.5105796
Molar Refractivity
51.5178
Polarizability
19.621323
Polar Surface Area
9.23
Rotatable Bonds
6
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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