Molecule

ID:21804

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₂O₃
Molecular Mass
324.3737
Exact Mass
324.14739251
Charge
0
InChI
InChI=1S/C19H20N2O3/c22-18(16-8-4-5-9-17(16)19(23)24)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,23,24)
InChIKey
OZJFDNRCHHJCDG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1C(=O)O)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)N1CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
Acid pKa
3.542477
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.13912378
LogD (pH = 7.4)
-0.58279467
Log P
-0.1384812
Molar Refractivity
92.8487
Polarizability
35.082546
Polar Surface Area
60.85
Rotatable Bonds
4
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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