Molecule

ID:20239

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄F₃NO
Molecular Mass
293.2836696
Exact Mass
293.10274873
Charge
0
InChI
InChI=1S/C16H14F3NO/c17-16(18,19)14-9-12(20)5-7-15(14)21-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3,20H2
InChIKey
WNOTUGCTMKTISZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)Oc1ccc2c(c1)CCC2
Isomeric Smiles
c1(C(F)(F)F)c(Oc2cc3c(cc2)CCC3)ccc(c1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.5262227
LogD (pH = 7.4)
4.5300913
Log P
4.530141
Molar Refractivity
75.8541
Polarizability
27.44836
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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