Molecule

ID:20259

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄F₃NO
Molecular Mass
233.2301696
Exact Mass
233.10274873
Charge
0
InChI
InChI=1S/C11H14F3NO/c1-2-3-6-16-8-4-5-10(15)9(7-8)11(12,13)14/h4-5,7H,2-3,6,15H2,1H3
InChIKey
CBEFQKRUANFUJY-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(c(c1)C(F)(F)F)N
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)OCCCC)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1867049
LogD (pH = 7.4)
3.1883748
Log P
3.188396
Molar Refractivity
57.0689
Polarizability
20.621101
Polar Surface Area
35.25
Rotatable Bonds
5
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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