Molecule

ID:8878

General Information
Structure
MolImage
Molecular Formula
C₉H₉IO₂
Molecular Mass
276.07103
Exact Mass
275.96472753
Charge
0
InChI
InChI=1S/C9H9IO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey
YCBJOQUNPLTBGG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)I
Isomeric Smiles
c1c(ccc(c1)C(=O)OCC)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2624753
LogD (pH = 7.4)
3.2624753
Log P
3.2624753
Molar Refractivity
56.1944
Polarizability
21.785246
Polar Surface Area
26.3
Rotatable Bonds
3
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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