Molecule

ID:65203

General Information
Structure
MolImage
Molecular Formula
C₆H₆INO
Molecular Mass
235.02241
Exact Mass
234.94941182
Charge
0
InChI
InChI=1S/C6H6INO/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKey
PTKTXYDJIOBEOD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(nc1)I
Isomeric Smiles
c1(cnc(cc1)I)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5594105
LogD (pH = 7.4)
1.5594339
Log P
1.5594342
Molar Refractivity
43.4349
Polarizability
17.299393
Polar Surface Area
22.12
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
No Data Available
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Molecule Details
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References
Bioactivity
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