Molecule

ID:20279

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₄F₃NO
Molecular Mass
329.3157696
Exact Mass
329.10274873
Charge
0
InChI
InChI=1S/C19H14F3NO/c20-19(21,22)16-12-14(10-11-17(16)23)24-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12H,23H2
InChIKey
MWFIIBKHMOLIAF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C(F)(F)F)Oc1ccccc1c1ccccc1
Isomeric Smiles
c1(C(F)(F)F)c(ccc(Oc2c(c3ccccc3)cccc2)c1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.1692653
LogD (pH = 7.4)
5.169676
Log P
5.169681
Molar Refractivity
88.1091
Polarizability
33.636784
Polar Surface Area
35.25
Rotatable Bonds
4
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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