Molecule

ID:19741

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)14-10-11-18(16(23)12-14)24-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h1-12H,23H2
InChIKey
GVGAERRTKFYAQM-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1Oc1ccccc1c1ccccc1)C(F)(F)F
Isomeric Smiles
C(c1cc(c(Oc2c(c3ccccc3)cccc2)cc1)N)(F)(F)F
Calculated Properties
JChem
Acid pKa
19.841562
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.1694393
LogD (pH = 7.4)
5.1696777
Log P
5.169681
Molar Refractivity
88.1091
Polarizability
33.63787
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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