Molecule

ID:32492

General Information
Structure
MolImage
Molecular Formula
C₇H₇I₂NO₂
Molecular Mass
390.94492
Exact Mass
390.85662447
Charge
0
InChI
InChI=1S/C7H7I2NO2/c1-11-4-3-5(12-2)7(9)10-6(4)8/h3H,1-2H3
InChIKey
HEJVCFGXTPOHNW-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)c(nc1I)I
Isomeric Smiles
c1(c(nc(c(c1)OC)I)I)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.363295
LogD (pH = 7.4)
2.363295
Log P
2.363295
Molar Refractivity
62.9687
Polarizability
25.490898
Polar Surface Area
31.35
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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