Molecule

ID:18251

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂F₃NO
Molecular Mass
219.2035896
Exact Mass
219.08709867
Charge
0
InChI
InChI=1S/C10H12F3NO/c1-6(2)15-9-4-3-7(5-8(9)14)10(11,12)13/h3-6H,14H2,1-2H3
InChIKey
PTRMADBLPXBJBJ-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1N)C(F)(F)F)C
Isomeric Smiles
C(c1cc(c(OC(C)C)cc1)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6351106
LogD (pH = 7.4)
2.637845
Log P
2.63788
Molar Refractivity
52.3627
Polarizability
18.816174
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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