Molecule

ID:19856

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉NO
Molecular Mass
289.37096
Exact Mass
289.14666423
Charge
0
InChI
InChI=1S/C20H19NO/c1-15-7-12-20(19(21)13-15)22-18-10-8-17(9-11-18)14-16-5-3-2-4-6-16/h2-13H,14,21H2,1H3
InChIKey
BGTTWDPFAVGERU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N)Oc1ccc(cc1)Cc1ccccc1
Isomeric Smiles
c1(c(cc(cc1)C)N)Oc1ccc(Cc2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.247227
LogD (pH = 7.4)
5.2497897
Log P
5.2498226
Molar Refractivity
91.7776
Polarizability
34.99101
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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