Molecule

ID:87559

General Information
Structure
MolImage
Molecular Formula
C₈H₉I
Molecular Mass
232.06153
Exact Mass
231.97489829
Charge
0
InChI
InChI=1S/C8H9I/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
InChIKey
ZLMKEENUYIUKKC-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)cc(c1)I
Isomeric Smiles
Ic1cc(cc(c1)C)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
18.92059
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation