Molecule

ID:97895

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₂N₂O
Molecular Mass
170.1162664
Exact Mass
170.0291692
Charge
0
InChI
InChI=1S/C7H4F2N2O/c8-3-1-4(9)6-5(2-3)10-7(12)11-6/h1-2H,(H2,10,11,12)
InChIKey
WYUDQMPZFGJEFY-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)cc2c1[nH]c(=O)[nH]2
Isomeric Smiles
[nH]1c2cc(cc(c2[nH]c1=O)F)F
Calculated Properties
JChem
Acid pKa
11.935121
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.4308131
LogD (pH = 7.4)
1.4308012
Log P
1.4308132
Molar Refractivity
40.4276
Polarizability
13.368512
Polar Surface Area
41.13
Rotatable Bonds
0
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
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References
Bioactivity
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