Molecule

ID:19936

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉NO
Molecular Mass
289.37096
Exact Mass
289.14666423
Charge
0
InChI
InChI=1S/C20H19NO/c1-15-7-12-19(21)20(13-15)22-18-10-8-17(9-11-18)14-16-5-3-2-4-6-16/h2-13H,14,21H2,1H3
InChIKey
VUFRCIVPZGNVPS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Oc1ccc(cc1)Cc1ccccc1)N
Isomeric Smiles
c1(Oc2ccc(Cc3ccccc3)cc2)c(ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.245877
LogD (pH = 7.4)
5.2497725
Log P
5.2498226
Molar Refractivity
91.7776
Polarizability
34.990723
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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