Molecule

ID:43648

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃NO₃
Molecular Mass
325.40152
Exact Mass
325.1677936
Charge
0
InChI
InChI=1S/C20H23NO3/c1-24-18-10-7-16(8-11-18)20-17(14-22)9-12-19(23)21(20)13-15-5-3-2-4-6-15/h2-8,10-11,17,20,22H,9,12-14H2,1H3
InChIKey
HWIROWYMGBONMT-UHFFFAOYSA-N
Canonic Smiles
OCC1CCC(=O)N(C1c1ccc(cc1)OC)Cc1ccccc1
Isomeric Smiles
N1(C(=O)CCC(C1c1ccc(cc1)OC)CO)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
15.409428
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.409528
LogD (pH = 7.4)
2.4095285
Log P
2.4095285
Molar Refractivity
93.4157
Polarizability
36.423573
Polar Surface Area
49.77
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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