Molecule

ID:67341

General Information
Structure
Molecular Formula
C₅H₅IN₂
Molecular Mass
220.01107
Exact Mass
219.94974617
Charge
0
InChI
InChI=1S/C5H5IN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2
InChIKey
CQOKRSJTVWBAKI-UHFFFAOYSA-N
Canonic Smiles
Nc1cccnc1I
Isomeric Smiles
c1(c(cccn1)N)I
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8880063
LogD (pH = 7.4)
0.88817734
Log P
0.88817954
Molar Refractivity
41.6721
Polarizability
15.920242
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
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Molecule Details
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References
Bioactivity
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