Molecule

ID:96249

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₄N₂O₅
Molecular Mass
284.1213728
Exact Mass
284.00563412
Charge
0
InChI
InChI=1S/C8H4F4N2O5/c9-7(10)8(11,12)19-6-2-1-4(13(15)16)3-5(6)14(17)18/h1-3,7H
InChIKey
PPEJTWQARACQTQ-UHFFFAOYSA-N
Canonic Smiles
FC(C(Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)F)F
Isomeric Smiles
[N+](=O)(c1c(ccc(c1)[N+](=O)[O-])OC(C(F)F)(F)F)[O-]
Calculated Properties
JChem
Acid pKa
18.750435
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.0100174
LogD (pH = 7.4)
3.0100174
Log P
3.0100174
Molar Refractivity
52.2961
Polarizability
18.403416
Polar Surface Area
100.87
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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