Molecule

ID:102022

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀INO₄
Molecular Mass
323.08447
Exact Mass
322.96545581
Charge
0
InChI
InChI=1S/C9H10INO4/c1-13-7-5(4-12)6(10)8(14-2)11-9(7)15-3/h4H,1-3H3
InChIKey
IQNXSIWIOKWLLH-UHFFFAOYSA-N
Canonic Smiles
COc1nc(OC)c(c(c1OC)C=O)I
Isomeric Smiles
c1(c(nc(c(c1C=O)OC)OC)OC)I
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.1129215
LogD (pH = 7.4)
2.1129215
Log P
2.1129215
Molar Refractivity
63.8642
Polarizability
24.356676
Polar Surface Area
57.65
Rotatable Bonds
4
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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