Molecule

ID:98325

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁F₃N₂O₃
Molecular Mass
264.2011496
Exact Mass
264.07217688
Charge
0
InChI
InChI=1S/C10H11F3N2O3/c1-6(9(16)15-14)17-7-2-4-8(5-3-7)18-10(11,12)13/h2-6H,14H2,1H3,(H,15,16)
InChIKey
BLWJFSQZXQFICN-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(Oc1ccc(cc1)OC(F)(F)F)C
Isomeric Smiles
O(c1ccc(cc1)OC(C)C(=O)NN)C(F)(F)F
Calculated Properties
JChem
Acid pKa
10.614524
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.1886103
LogD (pH = 7.4)
2.1897583
Log P
2.1900153
Molar Refractivity
52.4763
Polarizability
21.221287
Polar Surface Area
73.58
Rotatable Bonds
5
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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