Molecule

ID:68460

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(23)21-12-7-10-16(11-13-21)20-17(22)24-14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3,(H,20,22)
InChIKey
OZDJHIOXQZWYAS-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1CCCN(CC1)C(=O)OC(C)(C)C)OCc1ccccc1
Isomeric Smiles
N1(CCC(CCC1)NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.04695
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9814658
LogD (pH = 7.4)
2.9814658
Log P
2.9814658
Molar Refractivity
95.3949
Polarizability
37.350307
Polar Surface Area
67.87
Rotatable Bonds
6
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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