Molecule

ID:136394

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆N₂O₅
Molecular Mass
362.42014
Exact Mass
362.18417194
Charge
0
InChI
InChI=1S/C19H26N2O5/c1-2-25-17(22)12-19(14-24-15-19)21-10-8-20(9-11-21)18(23)26-13-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3
InChIKey
SHYNJIODDVSIRA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC1(COC1)N1CCN(CC1)C(=O)OCc1ccccc1
Isomeric Smiles
CCOC(=O)CC1(COC1)N1CCN(CC1)C(=O)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.4829587
LogD (pH = 7.4)
1.5891445
Log P
1.5906811
Molar Refractivity
95.4816
Polarizability
37.72625
Polar Surface Area
68.31
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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