Molecule

ID:65888

General Information
Structure
MolImage
Molecular Formula
C₅H₄IN₅
Molecular Mass
261.02323
Exact Mass
260.95114315
Charge
0
InChI
InChI=1S/C5H4IN5/c6-3-2-4(7)8-1-9-5(2)11-10-3/h1H,(H3,7,8,9,10,11)
InChIKey
HQAIUXZORKJOJY-UHFFFAOYSA-N
Canonic Smiles
Nc1ncnc2c1c(I)n[nH]2
Isomeric Smiles
[nH]1nc(c2c1ncnc2N)I
Calculated Properties
JChem
Acid pKa
5.5700164
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.35752687
LogD (pH = 7.4)
-0.053859305
Log P
0.46732306
Molar Refractivity
50.7745
Polarizability
18.795834
Polar Surface Area
80.48
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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