Molecule

ID:9920

General Information
Structure
MolImage
Molecular Formula
C₈H₉I
Molecular Mass
232.06153
Exact Mass
231.97489829
Charge
0
InChI
InChI=1S/C8H9I/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3
InChIKey
BUNKQJAMHYKQIM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)I
Isomeric Smiles
Ic1c(C)cc(cc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.929033
LogD (pH = 7.4)
3.929033
Log P
3.929033
Molar Refractivity
49.5029
Polarizability
18.922037
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
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References
Bioactivity
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