Molecule

ID:20445

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆FNO
Molecular Mass
293.3348432
Exact Mass
293.12159236
Charge
0
InChI
InChI=1S/C19H16FNO/c20-17-13-16(21)10-11-19(17)22-18-9-5-4-8-15(18)12-14-6-2-1-3-7-14/h1-11,13H,12,21H2
InChIKey
IKEQQDVGOFRTQL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)Oc1ccccc1Cc1ccccc1
Isomeric Smiles
O(c1c(cc(N)cc1)F)c1c(Cc2ccccc2)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.875463
LogD (pH = 7.4)
4.879057
Log P
4.879103
Molar Refractivity
86.9528
Polarizability
32.8081
Polar Surface Area
35.25
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
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Molecule Details
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References
Bioactivity
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