Molecule

ID:36248

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₄
Molecular Mass
344.40486
Exact Mass
344.17360726
Charge
0
InChI
InChI=1S/C19H24N2O4/c1-12(22)13-4-6-14(7-5-13)20-8-10-21(11-9-20)17(23)15-16(18(24)25)19(15,2)3/h4-7,15-16H,8-11H2,1-3H3,(H,24,25)
InChIKey
FZWNPMUVSOWXSK-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1C(C1(C)C)C(=O)O
Isomeric Smiles
C1(C(C1C(=O)O)C(=O)N1CCN(c2ccc(C(=O)C)cc2)CC1)(C)C
Calculated Properties
JChem
Acid pKa
4.2567587
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.03172486
LogD (pH = 7.4)
-1.6955447
Log P
1.3025581
Molar Refractivity
93.8735
Polarizability
35.75392
Polar Surface Area
77.92
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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