Molecule

ID:8023

General Information
Structure
Molecular Formula
C₈H₉I
Molecular Mass
232.06153
Exact Mass
231.97489829
Charge
0
InChI
InChI=1S/C8H9I/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
InChIKey
ZEJZDNMOGNUIHL-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1I
Isomeric Smiles
c1(I)c(CC)cccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8601804
LogD (pH = 7.4)
3.8601804
Log P
3.8601804
Molar Refractivity
49.0627
Polarizability
18.992
Polar Surface Area
0.0
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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