Molecule

ID:99331

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₇IO₂
Molecular Mass
367.9880524
Exact Mass
367.91442491
Charge
0
InChI
InChI=1S/C6H4F7IO2/c7-4(5(8,9)10,1-3(14)2-15)16-6(11,12)13/h1,15H,2H2
InChIKey
FXPCHKRRLLUOSG-UHFFFAOYSA-N
Canonic Smiles
OC/C(=C\C(C(F)(F)F)(OC(F)(F)F)F)/I
Isomeric Smiles
OC/C(=C\C(OC(F)(F)F)(F)C(F)(F)F)/I
Calculated Properties
JChem
Acid pKa
14.079162
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.697619
LogD (pH = 7.4)
3.697619
Log P
3.697619
Molar Refractivity
44.7111
Polarizability
18.263279
Polar Surface Area
29.46
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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