Molecule

ID:118889

General Information
Structure
MolImage
Molecular Formula
C₆H₃FINO₂
Molecular Mass
266.9963932
Exact Mass
266.91925456
Charge
0
InChI
InChI=1S/C6H3FINO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
InChIKey
MXPYCSFCKXSPAB-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(I)cc(c1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(cc(c1)I)F)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9848764
LogD (pH = 7.4)
2.9848764
Log P
2.9848764
Molar Refractivity
45.9574
Polarizability
17.495142
Polar Surface Area
43.14
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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