Molecule

ID:66913

General Information
Structure
MolImage
Molecular Formula
C₄H₄IN₃
Molecular Mass
220.99913
Exact Mass
220.94499514
Charge
0
InChI
InChI=1S/C4H4IN3/c5-3-1-8-4(6)2-7-3/h1-2H,(H2,6,8)
InChIKey
VVTVALQVXWRFAM-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc(nc1)I
Isomeric Smiles
c1(cnc(cn1)I)N
Calculated Properties
JChem
Acid pKa
19.921463
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.2649393
LogD (pH = 7.4)
0.2649643
Log P
0.26496464
Molar Refractivity
39.8287
Polarizability
15.152482
Polar Surface Area
51.8
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
Molecule Details
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References
Bioactivity
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