Molecule

ID:18136

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄F₃NO₂
Molecular Mass
249.2295696
Exact Mass
249.09766335
Charge
0
InChI
InChI=1S/C11H14F3NO2/c1-7(6-16-2)17-10-4-3-8(15)5-9(10)11(12,13)14/h3-5,7H,6,15H2,1-2H3
InChIKey
UPCZGVUZZIDAEX-UHFFFAOYSA-N
Canonic Smiles
COCC(Oc1ccc(cc1C(F)(F)F)N)C
Isomeric Smiles
c1(C(F)(F)F)c(OC(COC)C)ccc(c1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.217129
LogD (pH = 7.4)
2.2338789
Log P
2.2340965
Molar Refractivity
58.6576
Polarizability
21.393812
Polar Surface Area
44.48
Rotatable Bonds
5
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
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References
Bioactivity
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