Molecule

ID:70462

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₅
Molecular Mass
305.32576
Exact Mass
305.12632271
Charge
0
InChI
InChI=1S/C16H19NO5/c1-2-21-15(19)13-10-17(9-8-14(13)18)16(20)22-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKey
DYBIHRBNPRCTAS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CN(CCC1=O)C(=O)OCc1ccccc1
Isomeric Smiles
N1(CC(C(=O)CC1)C(=O)OCC)C(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
10.329937
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9811659
LogD (pH = 7.4)
1.9806691
Log P
1.9811723
Molar Refractivity
78.7803
Polarizability
30.802986
Polar Surface Area
72.91
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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