Molecule

ID:20185

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂F₃NO
Molecular Mass
267.2463896
Exact Mass
267.08709867
Charge
0
InChI
InChI=1S/C14H12F3NO/c15-14(16,17)12-8-11(18)6-7-13(12)19-9-10-4-2-1-3-5-10/h1-8H,9,18H2
InChIKey
UULCQZNHBGUYCE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)OCc1ccccc1
Isomeric Smiles
c1(C(F)(F)F)c(OCc2ccccc2)ccc(c1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5715084
LogD (pH = 7.4)
3.5887458
Log P
3.5889702
Molar Refractivity
67.8079
Polarizability
24.6006
Polar Surface Area
35.25
Rotatable Bonds
4
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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