Molecule
ID:98160
General Information
Molecular Formula
C₈H₆FIO₂
Molecular Mass
280.0349132
Exact Mass
279.93965565
Charge
0
InChI
InChI=1S/C8H6FIO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChIKey
VVVNAJAWYUURAO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)I)F
Isomeric Smiles
O(C(=O)c1ccc(c(c1)I)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0483692
LogD (pH = 7.4)
3.0483692
Log P
3.0483692
Molar Refractivity
51.6622
Polarizability
19.880184
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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