Molecule

ID:9844

General Information
Structure
Molecular Formula
C₇H₇I
Molecular Mass
218.03495
Exact Mass
217.95924822
Charge
0
InChI
InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKey
RINOYHWVBUKAQE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1I
Isomeric Smiles
c1ccc(c(c1)C)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4156117
LogD (pH = 7.4)
3.4156117
Log P
3.4156117
Molar Refractivity
44.4617
Polarizability
17.18211
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