Molecule

ID:28668

General Information
Structure
MolImage
Molecular Formula
C₅H₅IN₂
Molecular Mass
220.01107
Exact Mass
219.94974617
Charge
0
InChI
InChI=1S/C5H5IN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
InChIKey
ZGOCEDVVZKFHSY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccncc1I
Isomeric Smiles
c1(c(cncc1)I)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.08464715
LogD (pH = 7.4)
0.59991
Log P
0.8555919
Molar Refractivity
41.964
Polarizability
15.842056
Polar Surface Area
38.91
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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