Molecule

ID:16338

General Information
Structure
MolImage
Molecular Formula
C₆H₆INO
Molecular Mass
235.02241
Exact Mass
234.94941182
Charge
0
InChI
InChI=1S/C6H6INO/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3
InChIKey
ZMTZHYATPMNUJR-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(n1)I
Isomeric Smiles
c1c(nc(cc1)I)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1538913
LogD (pH = 7.4)
2.1538918
Log P
2.1538918
Molar Refractivity
43.7484
Polarizability
17.302353
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
References
Bioactivity
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