Molecule

ID:42623

General Information
Structure
MolImage
Molecular Formula
C₆H₉IN₄
Molecular Mass
264.06693
Exact Mass
263.98719431
Charge
0
InChI
InChI=1S/C6H9IN4/c1-3-5(7)6(11-8)10-4(2)9-3/h8H2,1-2H3,(H,9,10,11)
InChIKey
VKMKHUMQFXRXOA-UHFFFAOYSA-N
Canonic Smiles
NNc1nc(C)nc(c1I)C
Isomeric Smiles
c1(nc(nc(c1I)C)C)NN
Calculated Properties
JChem
Acid pKa
18.178331
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.9832961
LogD (pH = 7.4)
1.5890709
Log P
1.606541
Molar Refractivity
55.3209
Polarizability
19.945854
Polar Surface Area
63.83
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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