Molecule

ID:9845

General Information
Structure
MolImage
Molecular Formula
C₇H₇I
Molecular Mass
218.03495
Exact Mass
217.95924822
Charge
0
InChI
InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey
VLCPISYURGTGLP-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)I
Isomeric Smiles
c1cc(cc(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
17.180544
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
References
Bioactivity
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