Molecule

ID:29146

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₁NO₂
Molecular Mass
307.38624
Exact Mass
307.15722892
Charge
0
InChI
InChI=1S/C20H21NO2/c1-2-6-17(7-3-1)11-13-23-19-9-4-8-18(14-19)15-21-16-20-10-5-12-22-20/h1-10,12,14,21H,11,13,15-16H2
InChIKey
QVJWSLRIINJCOU-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCOc1cccc(c1)CNCc1ccco1
Isomeric Smiles
c1(occc1)CNCc1cc(OCCc2ccccc2)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9885936
LogD (pH = 7.4)
3.682429
Log P
4.1717772
Molar Refractivity
92.1403
Polarizability
35.89274
Polar Surface Area
34.4
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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