Molecule

ID:38032

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄F₅N₃O₂
Molecular Mass
327.250476
Exact Mass
327.1006178
Charge
0
InChI
InChI=1S/C12H14F5N3O2/c1-3-22-10(21)7-5-9-18-6(2)4-8(20(9)19-7)11(13,14)12(15,16)17/h5-6,8,18H,3-4H2,1-2H3
InChIKey
GYLSGLQQOWKZHD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nn2c(c1)NC(CC2C(C(F)(F)F)(F)F)C
Isomeric Smiles
n12c(cc(n2)C(=O)OCC)NC(CC1C(C(F)(F)F)(F)F)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5298202
LogD (pH = 7.4)
2.529826
Log P
2.5298262
Molar Refractivity
77.9139
Polarizability
24.163786
Polar Surface Area
56.15
Rotatable Bonds
5
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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