Molecule

ID:110509

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉F₄NO
Molecular Mass
283.2209728
Exact Mass
283.06202679
Charge
0
InChI
InChI=1S/C14H9F4NO/c15-11-2-1-3-12(8-11)19-13(20)9-4-6-10(7-5-9)14(16,17)18/h1-8H,(H,19,20)
InChIKey
HVRMUDNKSAUEIB-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)NC(=O)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
Fc1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
Calculated Properties
JChem
Acid pKa
12.974965
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.085681
LogD (pH = 7.4)
4.08568
Log P
4.085681
Molar Refractivity
67.7816
Polarizability
23.797348
Polar Surface Area
29.1
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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