Molecule

ID:76209

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₈N₂O₄
Molecular Mass
348.43662
Exact Mass
348.20490739
Charge
0
InChI
InChI=1S/C19H28N2O4/c1-19(2,3)25-18(24)21-13-11-20(12-14-21)16(17(22)23)10-9-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,22,23)
InChIKey
QFXHCEPJOKHODN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(N1CCN(CC1)C(=O)OC(C)(C)C)CCc1ccccc1
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CCN(CC1)C(C(=O)O)CCc1ccccc1
Calculated Properties
JChem
Acid pKa
1.3665837
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.3678483
LogD (pH = 7.4)
0.31199345
Log P
0.36832428
Molar Refractivity
95.5371
Polarizability
37.488106
Polar Surface Area
70.08
Rotatable Bonds
7
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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