Molecule

ID:71296

General Information
Structure
Molecular Formula
C₆H₂I₂N₂
Molecular Mass
355.90242
Exact Mass
355.83074407
Charge
0
InChI
InChI=1S/C6H2I2N2/c7-5-1-2-10-6(8)4(5)3-9/h1-2H
InChIKey
INCJBCHICXNSJJ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(I)ccnc1I
Isomeric Smiles
c1(c(nccc1I)I)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5021462
LogD (pH = 7.4)
2.5021462
Log P
2.5021462
Molar Refractivity
56.0558
Polarizability
22.161451
Polar Surface Area
36.68
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
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References
Bioactivity
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