Molecule

ID:20366

General Information
Structure
Molecular Formula
C₂₀H₁₉NO
Molecular Mass
289.37096
Exact Mass
289.14666423
Charge
0
InChI
InChI=1S/C20H19NO/c1-15-13-18(21)11-12-19(15)22-20-10-6-5-9-17(20)14-16-7-3-2-4-8-16/h2-13H,14,21H2,1H3
InChIKey
CFDJZXBYERHQML-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)Oc1ccccc1Cc1ccccc1
Isomeric Smiles
O(c1c(cc(N)cc1)C)c1c(Cc2ccccc2)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.199514
LogD (pH = 7.4)
5.249151
Log P
5.2498226
Molar Refractivity
91.7776
Polarizability
34.991768
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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