Molecule

ID:29581

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₃NO₃
Molecular Mass
349.42292
Exact Mass
349.1677936
Charge
0
InChI
InChI=1S/C22H23NO3/c1-24-19-11-13-20(14-12-19)25-16-15-23-21-9-5-6-10-22(21)26-17-18-7-3-2-4-8-18/h2-14,23H,15-17H2,1H3
InChIKey
CHROKGPWNVQGRM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OCCNc1ccccc1OCc1ccccc1
Isomeric Smiles
O(c1c(NCCOc2ccc(cc2)OC)cccc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
19.179422
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.4613233
LogD (pH = 7.4)
4.498706
Log P
4.499204
Molar Refractivity
104.343
Polarizability
40.06381
Polar Surface Area
39.72
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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