Molecule

ID:71294

General Information
Structure
MolImage
Molecular Formula
C₆H₂I₂N₂
Molecular Mass
355.90242
Exact Mass
355.83074407
Charge
0
InChI
InChI=1S/C6H2I2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H
InChIKey
CKTZXTXSOCLOBD-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(I)cncc1I
Isomeric Smiles
c1(C#N)c(I)cncc1I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4695585
LogD (pH = 7.4)
2.4695585
Log P
2.4695585
Molar Refractivity
56.3477
Polarizability
22.09561
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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