Molecule

ID:64881

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₈N₂O₅
Molecular Mass
364.43602
Exact Mass
364.19982201
Charge
0
InChI
InChI=1S/C19H28N2O5/c1-19(2,3)26-18(24)21-10-9-20(11-16(12-21)13-22)17(23)25-14-15-7-5-4-6-8-15/h4-8,16,22H,9-14H2,1-3H3
InChIKey
UINDULZNDFPHNC-UHFFFAOYSA-N
Canonic Smiles
OCC1CN(CCN(C1)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Isomeric Smiles
N1(CC(CN(CC1)C(=O)OCc1ccccc1)CO)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.389354
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8717766
LogD (pH = 7.4)
1.8717766
Log P
1.8717766
Molar Refractivity
97.0957
Polarizability
37.995358
Polar Surface Area
79.31
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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