Molecule

ID:29360

General Information
Structure
Molecular Formula
C₂₂H₂₃NO₂
Molecular Mass
333.42352
Exact Mass
333.17287898
Charge
0
InChI
InChI=1S/C22H23NO2/c1-18-7-9-19(10-8-18)17-23-20-11-13-22(14-12-20)25-16-15-24-21-5-3-2-4-6-21/h2-14,23H,15-17H2,1H3
InChIKey
ROXZANZBQOJATR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)CNc1ccc(cc1)OCCOc1ccccc1
Isomeric Smiles
N(c1ccc(cc1)OCCOc1ccccc1)Cc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.0660543
LogD (pH = 7.4)
5.168815
Log P
5.1702967
Molar Refractivity
102.921
Polarizability
39.337093
Polar Surface Area
30.49
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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