Molecule

ID:16333

General Information
Structure
MolImage
Molecular Formula
C₅H₃I₂N
Molecular Mass
330.89296
Exact Mass
330.8354951
Charge
0
InChI
InChI=1S/C5H3I2N/c6-4-2-1-3-5(7)8-4/h1-3H
InChIKey
IHBAEQUKKOAEES-UHFFFAOYSA-N
Canonic Smiles
Ic1cccc(n1)I
Isomeric Smiles
c1c(nc(cc1)I)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6786375
LogD (pH = 7.4)
2.6786375
Log P
2.6786375
Molar Refractivity
50.0423
Polarizability
20.356396
Polar Surface Area
12.89
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
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References
Bioactivity
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