Molecule

ID:11741

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉I
Molecular Mass
280.10433
Exact Mass
279.97489829
Charge
0
InChI
InChI=1S/C12H9I/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey
NXYICUMSYKIABQ-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)c1ccccc1
Isomeric Smiles
c1cccc(c1)c1ccc(cc1)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5494156
LogD (pH = 7.4)
4.5494156
Log P
4.5494156
Molar Refractivity
64.5567
Polarizability
26.178705
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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