Molecule

ID:109214

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁I₃N₄O₂
Molecular Mass
575.91195
Exact Mass
575.80161961
Charge
0
InChI
InChI=1S/C8H10N4O2.I3/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-3-2/h4H,1-3H3;/q;-1/p+1
InChIKey
SVDNZUIMOSTKAO-UHFFFAOYSA-O
Canonic Smiles
Cn1c(=O)n(C)c2c(c1=O)n(C)c[nH+]2.I[I-]I
Isomeric Smiles
I[I-]I.[nH+]1cn(C)c2c1n(C)c(=O)n(C)c2=O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5456457
LogD (pH = 7.4)
-0.5456456
Log P
-0.5456456
Molar Refractivity
48.8175
Polarizability
18.108072
Polar Surface Area
59.69
Rotatable Bonds
0
Lipinski's Rule of Five
false
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
References
Bioactivity
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