Molecule

ID:20228

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)17-12-15(23)8-11-18(17)24-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12H,23H2
InChIKey
TVIXBRLECVLLRJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)Oc1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(C(F)(F)F)c(Oc2ccc(c3ccccc3)cc2)ccc(c1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.165564
LogD (pH = 7.4)
5.1696286
Log P
5.169681
Molar Refractivity
88.1091
Polarizability
33.631092
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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