Molecule

ID:74761

General Information
Structure
MolImage
Molecular Formula
C₄H₄I₂N₂
Molecular Mass
333.8969
Exact Mass
333.84639414
Charge
0
InChI
InChI=1S/C4H4I2N2/c1-8-2-7-3(5)4(8)6/h2H,1H3
InChIKey
LFQKCAODRSVYMI-UHFFFAOYSA-N
Canonic Smiles
Cn1cnc(c1I)I
Isomeric Smiles
n1(c(c(nc1)I)I)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1943123
LogD (pH = 7.4)
2.2030125
Log P
2.2031248
Molar Refractivity
48.6415
Polarizability
19.994017
Polar Surface Area
17.82
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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