Molecule

ID:19726

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀F₃NO
Molecular Mass
205.1770096
Exact Mass
205.07144861
Charge
0
InChI
InChI=1S/C9H10F3NO/c1-2-14-8-4-3-6(5-7(8)13)9(10,11)12/h3-5H,2,13H2,1H3
InChIKey
LIQQEMLFIDADRH-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1N)C(F)(F)F
Isomeric Smiles
C(c1cc(c(cc1)OCC)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2187293
LogD (pH = 7.4)
2.2212725
Log P
2.2213051
Molar Refractivity
47.9439
Polarizability
17.016678
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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