Molecule

ID:8414

General Information
Structure
MolImage
Molecular Formula
C₈H₉IO₂
Molecular Mass
264.06033
Exact Mass
263.96472753
Charge
0
InChI
InChI=1S/C8H9IO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
InChIKey
ZDUYJCKEORTAQE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)OC)I
Isomeric Smiles
c1cc(c(cc1OC)OC)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5868478
LogD (pH = 7.4)
2.5868478
Log P
2.5868478
Molar Refractivity
52.3469
Polarizability
20.583918
Polar Surface Area
18.46
Rotatable Bonds
2
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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