Molecule

ID:43821

General Information
Structure
MolImage
Molecular Formula
C₆H₅I₂NO₂
Molecular Mass
376.91834
Exact Mass
376.84097441
Charge
0
InChI
InChI=1S/C6H4INO2.HI/c7-4-1-2-8-5(3-4)6(9)10;/h1-3H,(H,9,10);1H
InChIKey
RNQAFQCXISTQJB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(I)ccn1.I
Isomeric Smiles
c1(C(=O)O)cc(ccn1)I.I
Calculated Properties
JChem
Acid pKa
0.8689605
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.14802846
LogD (pH = 7.4)
-1.5943909
Log P
0.8539368
Molar Refractivity
44.1478
Polarizability
17.2091
Polar Surface Area
50.19
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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