Molecule
ID:97265
General Information
Molecular Formula
C₆H₂F₂INO₂
Molecular Mass
284.9868564
Exact Mass
284.90983275
Charge
0
InChI
InChI=1S/C6H2F2INO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H
InChIKey
HNFGWHASOYPJPT-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(F)c(c(c1)F)I
Isomeric Smiles
Ic1c(cc(cc1F)[N+](=O)[O-])F
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
17.480185
Polar Surface Area
45.82
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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