Molecule
ID:16020
General Information
Molecular Formula
C₁₀H₆INO₂
Molecular Mass
299.06461
Exact Mass
298.94432644
Charge
0
InChI
InChI=1S/C10H6INO2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12(13)14/h1-6H
InChIKey
POLBDBRAOAFURG-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc2ccccc2cc1I
Isomeric Smiles
c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8316512
LogD (pH = 7.4)
3.8316512
Log P
3.8316512
Molar Refractivity
63.1954
Polarizability
24.781689
Polar Surface Area
45.82
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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