Molecule

ID:63640

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₃NO₃
Molecular Mass
337.41222
Exact Mass
337.1677936
Charge
0
InChI
InChI=1S/C21H23NO3/c1-24-17-7-8-18-19(23)14-21(25-20(18)13-17)9-11-22(12-10-21)15-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3
InChIKey
IUVRAAHOJCKZJL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)OC1(CC2=O)CCN(CC1)Cc1ccccc1
Isomeric Smiles
C1(=O)c2ccc(cc2OC2(CCN(Cc3ccccc3)CC2)C1)OC
Calculated Properties
JChem
Acid pKa
14.462939
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.5361204
LogD (pH = 7.4)
2.2705657
Log P
2.8289406
Molar Refractivity
97.4808
Polarizability
37.970566
Polar Surface Area
38.77
Rotatable Bonds
3
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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