Molecule

ID:38372

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₃N₂O₂
Molecular Mass
192.0954296
Exact Mass
192.01466201
Charge
0
InChI
InChI=1S/C6H3F3N2O2/c7-6(8,9)5-10-1-3(2-11-5)4(12)13/h1-2H,(H,12,13)
InChIKey
RGLZXVNOHDUMRJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnc(nc1)C(F)(F)F
Isomeric Smiles
c1(ncc(cn1)C(=O)O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.7935524
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.51773846
LogD (pH = 7.4)
-2.1061764
Log P
1.1915346
Molar Refractivity
35.6131
Polarizability
12.579762
Polar Surface Area
63.08
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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