Molecule
ID:16032
General Information
Molecular Formula
C₈H₈I₂O₂
Molecular Mass
389.95686
Exact Mass
389.8613755
Charge
0
InChI
InChI=1S/C8H8I2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
InChIKey
FFMFMRCSTBQCTI-UHFFFAOYSA-N
Canonic Smiles
COc1cc(I)c(cc1OC)I
Isomeric Smiles
c1(c(cc(c(c1)OC)OC)I)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5157921
LogD (pH = 7.4)
3.5157921
Log P
3.5157921
Molar Refractivity
65.7094
Polarizability
26.073648
Polar Surface Area
18.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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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