Molecule

ID:36377

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₅
Molecular Mass
308.3297
Exact Mass
308.13722175
Charge
0
InChI
InChI=1S/C15H20N2O5/c1-21-13-4-2-12(3-5-13)17(11-15(19)20)10-14(18)16-6-8-22-9-7-16/h2-5H,6-11H2,1H3,(H,19,20)
InChIKey
SQJOXSRVXIFWNQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)N1CCOCC1)CC(=O)O
Isomeric Smiles
C(=O)(N1CCOCC1)CN(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
4.02819
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.1809422
LogD (pH = 7.4)
-2.841184
Log P
0.3014941
Molar Refractivity
79.8091
Polarizability
30.48743
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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