Molecule

ID:98234

General Information
Structure
MolImage
Molecular Formula
C₆H₄FIN₂O₂
Molecular Mass
282.0110332
Exact Mass
281.9301536
Charge
0
InChI
InChI=1S/C6H4FIN2O2/c7-4-1-3(8)2-5(6(4)9)10(11)12/h1-2H,9H2
InChIKey
YXIIZLLZNKTXHB-UHFFFAOYSA-N
Canonic Smiles
Ic1cc(F)c(c(c1)[N+](=O)[O-])N
Isomeric Smiles
[N+](=O)(c1cc(cc(c1N)F)I)[O-]
Calculated Properties
JChem
Acid pKa
12.299581
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8059504
LogD (pH = 7.4)
2.8059454
Log P
2.8059504
Molar Refractivity
50.6578
Polarizability
18.67818
Polar Surface Area
69.16
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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