Molecule

ID:71295

General Information
Structure
Molecular Formula
C₆H₂I₂N₂
Molecular Mass
355.90242
Exact Mass
355.83074407
Charge
0
InChI
InChI=1S/C6H2I2N2/c7-4-1-2-6(8)10-5(4)3-9/h1-2H
InChIKey
JUHZELURVFSDST-UHFFFAOYSA-N
Canonic Smiles
N#Cc1nc(I)ccc1I
Isomeric Smiles
n1c(C#N)c(ccc1I)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8879964
LogD (pH = 7.4)
2.8879964
Log P
2.8879964
Molar Refractivity
55.6838
Polarizability
22.165546
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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