Molecule

ID:76480

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈I₂
Molecular Mass
430.02226
Exact Mass
429.87154626
Charge
0
InChI
InChI=1S/C14H8I2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H
InChIKey
ZPRWJGXMCOOLMP-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)C#Cc1ccc(cc1)I
Isomeric Smiles
Ic1ccc(cc1)C#Cc1ccc(cc1)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.952204
LogD (pH = 7.4)
5.952204
Log P
5.952204
Molar Refractivity
80.6196
Polarizability
32.724476
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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