Molecule
ID:65388
General Information
Molecular Formula
C₇H₄FIN₂
Molecular Mass
262.0229332
Exact Mass
261.94032436
Charge
0
InChI
InChI=1S/C7H4FIN2/c8-5-3-1-2-4-6(5)10-11-7(4)9/h1-3H,(H,10,11)
InChIKey
NZLJQLITHWOQBC-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc2c1[nH]nc2I
Isomeric Smiles
c1cc2c(c(c1)F)[nH]nc2I
Calculated Properties
JChem
Acid pKa
9.014705
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.400411
LogD (pH = 7.4)
2.3903797
Log P
2.4005418
Molar Refractivity
49.3601
Polarizability
19.636292
Polar Surface Area
28.68
Rotatable Bonds
0
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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