Molecule

ID:32558

General Information
Structure
MolImage
Molecular Formula
C₆H₅I₂NO
Molecular Mass
360.91894
Exact Mass
360.84605979
Charge
0
InChI
InChI=1S/C6H5I2NO/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3
InChIKey
KRNCVHSAISYIDS-UHFFFAOYSA-N
Canonic Smiles
COc1cc(I)cnc1I
Isomeric Smiles
c1(cnc(c(c1)OC)I)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.488378
LogD (pH = 7.4)
2.4883788
Log P
2.4883788
Molar Refractivity
56.7974
Polarizability
22.852222
Polar Surface Area
22.12
Rotatable Bonds
1
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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