Molecule

ID:57621

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀F₃N₃O₂
Molecular Mass
321.2540096
Exact Mass
321.07251124
Charge
0
InChI
InChI=1S/C15H10F3N3O2/c1-23-14(22)11-8-13-19-10(9-5-3-2-4-6-9)7-12(15(16,17)18)21(13)20-11/h2-8H,1H3
InChIKey
LBMPDECEGMPFNZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nn2c(c1)nc(cc2C(F)(F)F)c1ccccc1
Isomeric Smiles
n1c(cc2n1c(cc(n2)c1ccccc1)C(F)(F)F)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.673225
LogD (pH = 7.4)
3.6732252
Log P
3.6732252
Molar Refractivity
86.0423
Polarizability
28.860685
Polar Surface Area
56.49
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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