Molecule

ID:65468

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅F₃N₂O₂
Molecular Mass
242.1541096
Exact Mass
242.03031207
Charge
0
InChI
InChI=1S/C10H5F3N2O2/c11-10(12,13)8-7(9(16)17)14-5-3-1-2-4-6(5)15-8/h1-4H,(H,16,17)
InChIKey
CALWBEPGJZCNIE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1nc2ccccc2nc1C(F)(F)F
Isomeric Smiles
c1(nc2c(nc1C(=O)O)cccc2)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.135698
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.26222283
LogD (pH = 7.4)
-0.8509536
Log P
2.6062105
Molar Refractivity
49.9363
Polarizability
19.626934
Polar Surface Area
63.08
Rotatable Bonds
2
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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