Molecule

ID:19773

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈F₃NO
Molecular Mass
309.3261296
Exact Mass
309.13404886
Charge
0
InChI
InChI=1S/C17H18F3NO/c1-3-11(2)12-4-7-14(8-5-12)22-16-9-6-13(10-15(16)21)17(18,19)20/h4-11H,3,21H2,1-2H3
InChIKey
PFIIVUUYHXBSEW-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)Oc1ccc(cc1N)C(F)(F)F)C
Isomeric Smiles
C(c1cc(c(Oc2ccc(cc2)C(CC)C)cc1)N)(F)(F)F
Calculated Properties
JChem
Acid pKa
19.85697
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.2118225
LogD (pH = 7.4)
5.212031
Log P
5.2120333
Molar Refractivity
81.7647
Polarizability
30.056059
Polar Surface Area
35.25
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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