Molecule

ID:68405

General Information
Structure
MolImage
Molecular Formula
C₄H₅IN₂
Molecular Mass
208.00037
Exact Mass
207.94974617
Charge
0
InChI
InChI=1S/C4H5IN2/c1-3-6-2-4(5)7-3/h2H,1H3,(H,6,7)
InChIKey
SEDSLMWYUQACGR-UHFFFAOYSA-N
Canonic Smiles
Ic1cnc([nH]1)C
Isomeric Smiles
c1(ncc([nH]1)I)C
Calculated Properties
JChem
Acid pKa
12.568838
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.63361996
LogD (pH = 7.4)
0.9332832
Log P
0.9393726
Molar Refractivity
36.5241
Polarizability
14.339353
Polar Surface Area
28.68
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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