Molecule

ID:16248

General Information
Structure
MolImage
Molecular Formula
C₅H₄INO
Molecular Mass
220.99583
Exact Mass
220.93376175
Charge
0
InChI
InChI=1S/C5H4INO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
InChIKey
ZDJUNNCVIDKJAN-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cn1)I
Isomeric Smiles
c1(cnc(cc1)O)I
Calculated Properties
JChem
Acid pKa
10.790789
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9754014
LogD (pH = 7.4)
1.9752355
Log P
1.9754101
Molar Refractivity
39.558
Polarizability
15.381143
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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