Molecule

ID:51315

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃N₂O₂
Molecular Mass
244.1699896
Exact Mass
244.04596213
Charge
0
InChI
InChI=1S/C10H7F3N2O2/c11-10(12,13)6-1-2-8-14-7(3-9(16)17)5-15(8)4-6/h1-2,4-5H,3H2,(H,16,17)
InChIKey
AMHRIMIWEWHXRJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1cn2c(n1)ccc(c2)C(F)(F)F
Isomeric Smiles
n12c(nc(c2)CC(=O)O)ccc(c1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.4738266
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.11127039
LogD (pH = 7.4)
-1.1657957
Log P
-0.056878418
Molar Refractivity
52.8457
Polarizability
18.872263
Polar Surface Area
54.6
Rotatable Bonds
3
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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