Molecule

ID:65633

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅F₃N₂O₂
Molecular Mass
300.2763096
Exact Mass
300.10856239
Charge
0
InChI
InChI=1S/C14H15F3N2O2/c1-13(2,3)12(21)19-11-9(5-4-6-20)7-10(8-18-11)14(15,16)17/h7-8,20H,6H2,1-3H3,(H,18,19,21)
InChIKey
YFIWOTOHYQKRLJ-UHFFFAOYSA-N
Canonic Smiles
OCC#Cc1cc(cnc1NC(=O)C(C)(C)C)C(F)(F)F
Isomeric Smiles
c1(cnc(c(c1)C#CCO)NC(=O)C(C)(C)C)C(F)(F)F
Calculated Properties
JChem
Acid pKa
11.637584
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.9714298
LogD (pH = 7.4)
2.971594
Log P
2.9716203
Molar Refractivity
71.2015
Polarizability
26.08264
Polar Surface Area
62.22
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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