Molecule

ID:51843

General Information
Structure
MolImage
Molecular Formula
C₈H₈INO₃
Molecular Mass
293.05849
Exact Mass
292.95489112
Charge
0
InChI
InChI=1S/C8H8INO3/c1-12-7-6(9)3-5(4-10-7)8(11)13-2/h3-4H,1-2H3
InChIKey
MOOWIXHPPDSUFQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(c(c1)I)OC
Isomeric Smiles
c1(C(=O)OC)cc(c(nc1)OC)I
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1247807
LogD (pH = 7.4)
2.1247811
Log P
2.1247811
Molar Refractivity
56.0656
Polarizability
21.787012
Polar Surface Area
48.42
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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