Molecule

ID:66934

General Information
Structure
MolImage
Molecular Formula
C₄H₃IN₂
Molecular Mass
205.98449
Exact Mass
205.93409611
Charge
0
InChI
InChI=1S/C4H3IN2/c5-4-1-6-3-7-2-4/h1-3H
InChIKey
DNWRLMRKDSGSPL-UHFFFAOYSA-N
Canonic Smiles
Ic1cncnc1
Isomeric Smiles
c1ncc(cn1)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9786733
LogD (pH = 7.4)
0.97867984
Log P
0.97867996
Molar Refractivity
36.0848
Polarizability
13.9026785
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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