Molecule

ID:94342

General Information
Structure
MolImage
Molecular Formula
C₉H₃F₁₄IO
Molecular Mass
520.0016348
Exact Mass
519.9005078
Charge
0
InChI
InChI=1S/C9H3F14IO/c10-3(2(24)1-25)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)23/h25H,1H2
InChIKey
JIPGTBFJIYIERY-UHFFFAOYSA-N
Canonic Smiles
OC/C(=C(/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)/I
Isomeric Smiles
FC(C(F)(F)F)(F)C(C(C(F)(F)C(/C(=C(/CO)\I)/F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
13.918223
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.804032
LogD (pH = 7.4)
4.8040314
Log P
4.804032
Molar Refractivity
60.7717
Polarizability
23.22986
Polar Surface Area
20.23
Rotatable Bonds
7
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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