Molecule
ID:71314
General Information
Molecular Formula
C₆H₅I₂NO
Molecular Mass
360.91894
Exact Mass
360.84605979
Charge
0
InChI
InChI=1S/C6H5I2NO/c1-3-4(7)2-5(8)6(10)9-3/h2H,1H3,(H,9,10)
InChIKey
SWTNOEZVLBPWNC-UHFFFAOYSA-N
Canonic Smiles
Ic1cc(I)c(nc1C)O
Isomeric Smiles
n1c(c(cc(c1C)I)I)O
Calculated Properties
JChem
Acid pKa
9.912955
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0357068
LogD (pH = 7.4)
3.034411
Log P
3.0357246
Molar Refractivity
57.512
Polarizability
22.66318
Polar Surface Area
33.12
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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