Molecule

ID:34529

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₉NO₂
Molecular Mass
339.47116
Exact Mass
339.21982917
Charge
0
InChI
InChI=1S/C22H29NO2/c1-3-24-20-9-5-17(6-10-20)22(19-13-15-23-16-14-19)18-7-11-21(12-8-18)25-4-2/h5-12,19,22-23H,3-4,13-16H2,1-2H3
InChIKey
SLBWETXQSUZRES-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)C(c1ccc(cc1)OCC)C1CCNCC1
Isomeric Smiles
C1C(CCNC1)C(c1ccc(cc1)OCC)c1ccc(cc1)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1104524
LogD (pH = 7.4)
1.5685052
Log P
4.3419757
Molar Refractivity
103.1472
Polarizability
40.441994
Polar Surface Area
30.49
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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