Molecule

ID:43836

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₃N₃O₂
Molecular Mass
273.2112096
Exact Mass
273.07251124
Charge
0
InChI
InChI=1S/C11H10F3N3O2/c1-2-19-10(18)8-9(15)17-5-6(11(12,13)14)3-4-7(17)16-8/h3-5H,2,15H2,1H3
InChIKey
WUPTXGFCVLFIOA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc2n(c1N)cc(cc2)C(F)(F)F
Isomeric Smiles
n12c(c(nc1ccc(c2)C(F)(F)F)C(=O)OCC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8371651
LogD (pH = 7.4)
2.0894077
Log P
2.0938983
Molar Refractivity
62.2657
Polarizability
22.041328
Polar Surface Area
69.62
Rotatable Bonds
4
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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