Molecule

ID:29558

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₃NO₂
Molecular Mass
333.42352
Exact Mass
333.17287898
Charge
0
InChI
InChI=1S/C22H23NO2/c1-2-24-21-13-11-18(12-14-21)16-23-20-9-6-10-22(15-20)25-17-19-7-4-3-5-8-19/h3-15,23H,2,16-17H2,1H3
InChIKey
XTYCTEIVEITJND-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)CNc1cccc(c1)OCc1ccccc1
Isomeric Smiles
N(c1cc(OCc2ccccc2)ccc1)Cc1ccc(cc1)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.9324684
LogD (pH = 7.4)
4.9363856
Log P
4.9364357
Molar Refractivity
103.152
Polarizability
39.411396
Polar Surface Area
30.49
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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