Molecule

ID:109772

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉I₂N
Molecular Mass
396.9941
Exact Mass
396.88244529
Charge
0
InChI
InChI=1S/C9H6IN.CH3I/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-2/h1-6H;1H3
InChIKey
JFBDLIAPYXASIZ-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc2c(n1)cccc2.CI
Isomeric Smiles
CI.Ic1ccc2ccccc2n1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0924177
LogD (pH = 7.4)
3.0924325
Log P
3.0924325
Molar Refractivity
53.0499
Polarizability
22.004652
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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