Molecule

ID:20194

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀F₃NO
Molecular Mass
253.2198096
Exact Mass
253.07144861
Charge
0
InChI
InChI=1S/C13H10F3NO/c14-13(15,16)11-8-9(17)6-7-12(11)18-10-4-2-1-3-5-10/h1-8H,17H2
InChIKey
GLVOXGPMYXJKGS-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)Oc1ccccc1
Isomeric Smiles
c1(C(F)(F)F)c(Oc2ccccc2)ccc(c1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5186853
LogD (pH = 7.4)
3.5224078
Log P
3.5224555
Molar Refractivity
62.9729
Polarizability
22.83877
Polar Surface Area
35.25
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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