Molecule

ID:112863

General Information
Structure
MolImage
Molecular Formula
C₆H₃I₂NO₃
Molecular Mass
390.90186
Exact Mass
390.82023896
Charge
0
InChI
InChI=1S/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
InChIKey
UVGTXNPVQOQFQW-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(I)c(c(c1)I)O
Isomeric Smiles
Oc1c(I)cc(cc1I)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
4.896257
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.78335
LogD (pH = 7.4)
1.5647798
Log P
3.4675536
Molar Refractivity
61.0844
Polarizability
23.896528
Polar Surface Area
63.37
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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