Molecule

ID:67785

General Information
Structure
MolImage
Molecular Formula
C₆H₆INO
Molecular Mass
235.02241
Exact Mass
234.94941182
Charge
0
InChI
InChI=1S/C6H6INO/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3
InChIKey
HRZOWBGCOJWHDY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(n1)I)O
Isomeric Smiles
c1(c(ccc(n1)C)O)I
Calculated Properties
JChem
Acid pKa
8.019264
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5432783
LogD (pH = 7.4)
1.4534161
Log P
1.5449103
Molar Refractivity
43.5441
Polarizability
17.180912
Polar Surface Area
33.12
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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