Molecule

ID:43548

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₅
Molecular Mass
332.3511
Exact Mass
332.13722175
Charge
0
InChI
InChI=1S/C17H20N2O5/c1-3-23-13(20)10-12-14(16(21)24-4-2)15(19-17(22)18-12)11-8-6-5-7-9-11/h5-9,15H,3-4,10H2,1-2H3,(H2,18,19,22)
InChIKey
YRHVWDYXXRUSDM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=C(NC(=O)NC1c1ccccc1)CC(=O)OCC
Isomeric Smiles
C1(=C(NC(=O)NC1c1ccccc1)CC(=O)OCC)C(=O)OCC
Calculated Properties
JChem
Acid pKa
12.52506
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1011925
LogD (pH = 7.4)
1.1011896
Log P
1.1011925
Molar Refractivity
86.987
Polarizability
33.541737
Polar Surface Area
93.73
Rotatable Bonds
8
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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