Molecule

ID:19753

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃F₃N₂O₂
Molecular Mass
310.2711296
Exact Mass
310.09291233
Charge
0
InChI
InChI=1S/C15H13F3N2O2/c1-9(21)20-11-3-2-4-12(8-11)22-14-6-5-10(7-13(14)19)15(16,17)18/h2-8H,19H2,1H3,(H,20,21)
InChIKey
JNBXNNXDLUOYHQ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)Oc1ccc(cc1N)C(F)(F)F
Isomeric Smiles
C(c1cc(c(Oc2cc(NC(=O)C)ccc2)cc1)N)(F)(F)F
Calculated Properties
JChem
Acid pKa
13.914496
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.7599869
LogD (pH = 7.4)
2.7601635
Log P
2.760166
Molar Refractivity
77.8359
Polarizability
27.785326
Polar Surface Area
64.35
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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