Molecule

ID:7796

General Information
Structure
MolImage
Molecular Formula
C₄H₃IN₂
Molecular Mass
205.98449
Exact Mass
205.93409611
Charge
0
InChI
InChI=1S/C4H3IN2/c5-4-3-6-1-2-7-4/h1-3H
InChIKey
OYWPFIUVDKHHGQ-UHFFFAOYSA-N
Canonic Smiles
Ic1cnccn1
Isomeric Smiles
c1cncc(n1)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.49943238
LogD (pH = 7.4)
0.49943307
Log P
0.49943307
Molar Refractivity
34.8148
Polarizability
13.971775
Polar Surface Area
25.78
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
References
Bioactivity
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