Molecule
ID:74763
General Information
Molecular Formula
C₄H₄I₂N₂
Molecular Mass
333.8969
Exact Mass
333.84639414
Charge
0
InChI
InChI=1S/C4H4I2N2/c1-2-7-3(5)4(6)8-2/h1H3,(H,7,8)
InChIKey
WFEZOLYJPCODOA-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]c(c(n1)I)I
Isomeric Smiles
[nH]1c(c(nc1C)I)I
Calculated Properties
JChem
Acid pKa
10.455101
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1588075
LogD (pH = 7.4)
2.2044072
Log P
2.2054043
Molar Refractivity
48.1855
Polarizability
19.996279
Polar Surface Area
28.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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