Molecule

ID:80487

General Information
Structure
MolImage
Molecular Formula
C₈H₇IO₂
Molecular Mass
262.04445
Exact Mass
261.94907746
Charge
0
InChI
InChI=1S/C8H7IO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4H2
InChIKey
HZTMYTXWFHBHDC-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc2c(c1)OCCO2
Isomeric Smiles
O1c2c(ccc(c2)I)OCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4153228
LogD (pH = 7.4)
2.4153228
Log P
2.4153228
Molar Refractivity
50.3779
Polarizability
19.887625
Polar Surface Area
18.46
Rotatable Bonds
0
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
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References
Bioactivity
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