Molecule

ID:8242

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀F₃NO
Molecular Mass
265.2305096
Exact Mass
265.07144861
Charge
0
InChI
InChI=1S/C14H10F3NO/c15-14(16,17)11-7-4-8-12(9-11)18-13(19)10-5-2-1-3-6-10/h1-9H,(H,18,19)
InChIKey
RGEVOBUFCUKOAC-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)Nc1cccc(c1)C(F)(F)F
Isomeric Smiles
c1cccc(c1)C(=O)Nc1cc(ccc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
11.400331
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.9429786
LogD (pH = 7.4)
3.9429379
Log P
3.942979
Molar Refractivity
67.5652
Polarizability
23.97906
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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