Molecule

ID:97240

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃N₂O
Molecular Mass
228.1705896
Exact Mass
228.05104751
Charge
0
InChI
InChI=1S/C10H7F3N2O/c11-10(12,13)8-6-9(16)15(14-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
GLGRRRKQSFURGD-UHFFFAOYSA-N
Canonic Smiles
FC(C1=NN(C(=O)C1)c1ccccc1)(F)F
Isomeric Smiles
N1=C(CC(=O)N1c1ccccc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
6.86196
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6405678
LogD (pH = 7.4)
2.011478
Log P
2.6590292
Molar Refractivity
50.5027
Polarizability
18.316738
Polar Surface Area
32.67
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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