Molecule

ID:99965

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂F₃NO
Molecular Mass
279.2570896
Exact Mass
279.08709867
Charge
0
InChI
InChI=1S/C15H12F3NO/c1-10-5-2-3-8-13(10)14(20)19-12-7-4-6-11(9-12)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKey
VNBKPVJBSIXIJX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1C)Nc1cccc(c1)C(F)(F)F
Isomeric Smiles
N(c1cc(ccc1)C(F)(F)F)C(=O)c1c(cccc1)C
Calculated Properties
JChem
Acid pKa
11.514309
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.4564
LogD (pH = 7.4)
4.456369
Log P
4.4564004
Molar Refractivity
72.6064
Polarizability
25.727356
Polar Surface Area
29.1
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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