Molecule

ID:70319

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₂N₂O₂
Molecular Mass
174.1049664
Exact Mass
174.02408382
Charge
0
InChI
InChI=1S/C6H4F2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2
InChIKey
WDMCABATCGQAKK-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(F)c(cc1N)F
Isomeric Smiles
Nc1c(cc(c(c1)F)F)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
14.849331
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.019708
LogD (pH = 7.4)
2.019708
Log P
2.019708
Molar Refractivity
37.5117
Polarizability
13.045502
Polar Surface Area
69.16
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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