Molecule

ID:29362

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₃NO₂
Molecular Mass
333.42352
Exact Mass
333.17287898
Charge
0
InChI
InChI=1S/C22H23NO2/c1-3-7-19(8-4-1)15-16-23-20-11-13-22(14-12-20)25-18-17-24-21-9-5-2-6-10-21/h1-14,23H,15-18H2
InChIKey
AFIMBALRGKFWRY-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCNc1ccc(cc1)OCCOc1ccccc1
Isomeric Smiles
N(c1ccc(cc1)OCCOc1ccccc1)CCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.4173255
LogD (pH = 7.4)
4.9326615
Log P
4.9455366
Molar Refractivity
102.6348
Polarizability
39.34048
Polar Surface Area
30.49
Rotatable Bonds
9
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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