Molecule

ID:84645

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉I
Molecular Mass
280.10433
Exact Mass
279.97489829
Charge
0
InChI
InChI=1S/C12H9I/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2
InChIKey
UBYOMLSMSGFXOY-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc2c3c1cccc3CC2
Isomeric Smiles
Ic1ccc2c3c(cccc13)CC2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.454784
LogD (pH = 7.4)
4.454784
Log P
4.454784
Molar Refractivity
64.1509
Polarizability
25.560436
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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