Molecule

ID:8927

General Information
Structure
Molecular Formula
C₁₄H₉F₄NO
Molecular Mass
283.2209728
Exact Mass
283.06202679
Charge
0
InChI
InChI=1S/C14H9F4NO/c15-11-6-1-2-7-12(11)19-13(20)9-4-3-5-10(8-9)14(16,17)18/h1-8H,(H,19,20)
InChIKey
GDAKRRAHPILODI-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccc(c1)C(F)(F)F)Nc1ccccc1F
Isomeric Smiles
c1cc(cc(c1)C(=O)Nc1c(cccc1)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
9.834833
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.085662
LogD (pH = 7.4)
4.084168
Log P
4.085681
Molar Refractivity
67.7816
Polarizability
23.798006
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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