Molecule

ID:101339

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃IO₂
Molecular Mass
304.12419
Exact Mass
303.99602766
Charge
0
InChI
InChI=1S/C11H13IO2/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9H,5-8H2
InChIKey
ADTBIBCNKWWYRD-UHFFFAOYSA-N
Canonic Smiles
Ic1ccccc1OC1CCOCC1
Isomeric Smiles
c1(OC2CCOCC2)c(I)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7057052
LogD (pH = 7.4)
2.7057052
Log P
2.7057052
Molar Refractivity
64.3592
Polarizability
25.324389
Polar Surface Area
18.46
Rotatable Bonds
2
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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