Molecule

ID:24314

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁F₃N₂O
Molecular Mass
280.2451496
Exact Mass
280.08234764
Charge
0
InChI
InChI=1S/C14H11F3N2O/c15-14(16,17)10-2-1-3-12(8-10)19-13(20)9-4-6-11(18)7-5-9/h1-8H,18H2,(H,19,20)
InChIKey
BIVQEHDNRFPDON-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)Nc1cccc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(NC(=O)c2ccc(N)cc2)ccc1)(F)(F)F
Calculated Properties
JChem
Acid pKa
11.894584
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.1132038
LogD (pH = 7.4)
3.1140292
Log P
3.1140532
Molar Refractivity
72.2656
Polarizability
25.149195
Polar Surface Area
55.12
Rotatable Bonds
3
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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