Molecule

ID:38020

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄F₃N₅O₂
Molecular Mass
353.2991696
Exact Mass
353.10995937
Charge
0
InChI
InChI=1S/C15H14F3N5O2/c1-4-25-14(24)9-6-19-23-12(15(16,17)18)5-11(20-13(9)23)10-7-22(3)21-8(10)2/h5-7H,4H2,1-3H3
InChIKey
ZPYKJKNYUIHCIT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn2c1nc(cc2C(F)(F)F)c1cn(nc1C)C
Isomeric Smiles
c12n(c(cc(n1)c1c(nn(c1)C)C)C(F)(F)F)ncc2C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4030688
LogD (pH = 7.4)
2.4034088
Log P
2.403413
Molar Refractivity
104.6578
Polarizability
31.1463
Polar Surface Area
74.31
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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