Molecule

ID:44333

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O₂
Molecular Mass
326.43264
Exact Mass
326.19942808
Charge
0
InChI
InChI=1S/C20H26N2O2/c23-17-19-6-8-20(9-7-19)24-15-14-21-10-12-22(13-11-21)16-18-4-2-1-3-5-18/h1-9,23H,10-17H2
InChIKey
QSWSENUTGPBKPN-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)OCCN1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CCN(CC1)CCOc1ccc(cc1)CO
Calculated Properties
JChem
Acid pKa
15.021047
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.03223621
LogD (pH = 7.4)
1.7420503
Log P
2.638462
Molar Refractivity
98.0189
Polarizability
38.290558
Polar Surface Area
35.94
Rotatable Bonds
7
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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