Molecule

ID:28868

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₃NO₂
Molecular Mass
333.42352
Exact Mass
333.17287898
Charge
0
InChI
InChI=1S/C22H23NO2/c1-2-16-24-22-11-7-6-8-18(22)17-23-19-12-14-21(15-13-19)25-20-9-4-3-5-10-20/h3-15,23H,2,16-17H2,1H3
InChIKey
NHUGUWLUKQLNGA-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccccc1CNc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
c1(CNc2ccc(Oc3ccccc3)cc2)c(OCCC)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.3668723
LogD (pH = 7.4)
5.392112
Log P
5.392443
Molar Refractivity
102.841
Polarizability
39.473873
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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