Molecule

ID:74122

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉I
Molecular Mass
292.11503
Exact Mass
291.97489829
Charge
0
InChI
InChI=1S/C13H9I/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChIKey
VNYQUOAQPXGXQO-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc2c(c1)Cc1c2cccc1
Isomeric Smiles
Ic1cc2c(cc1)c1c(cccc1)C2
Calculated Properties
JChem
Acid pKa
17.566185
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.667964
LogD (pH = 7.4)
4.667964
Log P
4.667964
Molar Refractivity
68.2359
Polarizability
27.215961
Polar Surface Area
0.0
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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