Molecule

ID:797857

General Information
Structure
Molecular Formula
C₁₀H₁₁IO₂
Molecular Mass
290.09761
Exact Mass
289.98037759
Charge
0
InChI
InChI=1S/C10H11IO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
InChIKey
YDJDSUNRSIVGMI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ccc(cc1)I
Isomeric Smiles
C(C(=O)OCC)c1ccc(cc1)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0426407
LogD (pH = 7.4)
3.0426407
Log P
3.0426407
Molar Refractivity
60.2458
Polarizability
23.614628
Polar Surface Area
26.3
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
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Molecule Details
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References
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Bioactivity
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