Molecule

ID:99241

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₁₁IO
Molecular Mass
439.9929652
Exact Mass
439.91312317
Charge
0
InChI
InChI=1S/C7H4F11IO/c8-3(1-2-19,5(11,12)13)20-7(17,18)4(9,10)6(14,15)16/h1-2H2
InChIKey
HJDWQDVEEKHDLR-UHFFFAOYSA-N
Canonic Smiles
ICCC(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
Isomeric Smiles
O(C(F)(C(F)(F)C(F)(F)F)F)C(F)(C(F)(F)F)CCI
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.764503
LogD (pH = 7.4)
5.764503
Log P
5.764503
Molar Refractivity
50.9297
Polarizability
19.857136
Polar Surface Area
9.23
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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