Molecule
ID:68242
General Information
Molecular Formula
C₆H₃FINO₂
Molecular Mass
266.9963932
Exact Mass
266.91925456
Charge
0
InChI
InChI=1S/C6H3FINO2/c7-5-4(6(10)11)3(8)1-2-9-5/h1-2H,(H,10,11)
InChIKey
QKPLTGKHTYHYLU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(I)ccnc1F
Isomeric Smiles
C(=O)(c1c(ccnc1F)I)O
Calculated Properties
JChem
Acid pKa
4.419269
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7649019
LogD (pH = 7.4)
-0.9943401
Log P
1.8787334
Molar Refractivity
45.7509
Polarizability
17.148487
Polar Surface Area
50.19
Rotatable Bonds
1
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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