Molecule

ID:98168

General Information
Structure
MolImage
Molecular Formula
C₆H₂F₂INO₂
Molecular Mass
284.9868564
Exact Mass
284.90983275
Charge
0
InChI
InChI=1S/C6H2F2INO2/c7-3-1-4(8)6(10(11)12)2-5(3)9/h1-2H
InChIKey
FTPUDNRHVGHDGA-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(I)c(cc1F)F
Isomeric Smiles
[N+](=O)(c1cc(c(cc1F)F)I)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1275783
LogD (pH = 7.4)
3.1275783
Log P
3.1275783
Molar Refractivity
47.178
Polarizability
17.470768
Polar Surface Area
45.82
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
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Molecule Details
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References
Bioactivity
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