Molecule

ID:69040

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃NO
Molecular Mass
293.40272
Exact Mass
293.17796436
Charge
0
InChI
InChI=1S/C20H23NO/c22-20-13-11-19(12-14-20)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2
InChIKey
ZDHRRHRWHFBMQV-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(CC1)N(Cc1ccccc1)Cc1ccccc1
Isomeric Smiles
C1(=O)CCC(CC1)N(Cc1ccccc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
18.714424
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0112209
LogD (pH = 7.4)
2.5552933
Log P
4.2591686
Molar Refractivity
90.8689
Polarizability
35.581474
Polar Surface Area
20.31
Rotatable Bonds
5
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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