Molecule

ID:41805

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀F₃NO₃
Molecular Mass
297.2293096
Exact Mass
297.06127785
Charge
0
InChI
InChI=1S/C14H10F3NO3/c15-14(16,17)11-3-1-2-9(6-11)7-18-8-10(13(20)21)4-5-12(18)19/h1-6,8H,7H2,(H,20,21)
InChIKey
NYZVOKKBFUJNPZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(=O)n(c1)Cc1cccc(c1)C(F)(F)F
Isomeric Smiles
c1(cn(c(=O)cc1)Cc1cc(ccc1)C(F)(F)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5340996
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.31904495
LogD (pH = 7.4)
-1.0870053
Log P
2.2779133
Molar Refractivity
69.5275
Polarizability
24.972097
Polar Surface Area
57.61
Rotatable Bonds
4
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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