Molecule

ID:67120

General Information
Structure
MolImage
Molecular Formula
C₅H₆IN₃
Molecular Mass
235.02571
Exact Mass
234.96064521
Charge
0
InChI
InChI=1S/C5H6IN3/c1-3-8-4(6)2-5(7)9-3/h2H,1H3,(H2,7,8,9)
InChIKey
GZHINVBVMNLSCG-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(I)nc(n1)C
Isomeric Smiles
c1(nc(cc(n1)I)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5609113
LogD (pH = 7.4)
1.5794934
Log P
1.5797355
Molar Refractivity
45.4312
Polarizability
16.859377
Polar Surface Area
51.8
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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