Molecule

ID:8243

General Information
Structure
Molecular Formula
C₁₄H₉F₄NO
Molecular Mass
283.2209728
Exact Mass
283.06202679
Charge
0
InChI
InChI=1S/C14H9F4NO/c15-12-4-2-1-3-11(12)13(20)19-10-7-5-9(6-8-10)14(16,17)18/h1-8H,(H,19,20)
InChIKey
DHIJRCCTFZYRBS-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1F)Nc1ccc(cc1)C(F)(F)F
Isomeric Smiles
c1ccc(c(c1)C(=O)Nc1ccc(cc1)C(F)(F)F)F
Calculated Properties
JChem
Acid pKa
12.548088
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.085681
LogD (pH = 7.4)
4.085678
Log P
4.085681
Molar Refractivity
67.7816
Polarizability
23.798695
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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