Molecule

ID:43196

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₄
Molecular Mass
289.32636
Exact Mass
289.13140809
Charge
0
InChI
InChI=1S/C16H19NO4/c1-4-21-15(20)11-5-7-12(8-6-11)17-13(18)9-16(2,3)10-14(17)19/h5-8H,4,9-10H2,1-3H3
InChIKey
NOAUUXLIGIBMNF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)N1C(=O)CC(CC1=O)(C)C
Isomeric Smiles
N1(C(=O)CC(CC1=O)(C)C)c1ccc(C(=O)OCC)cc1
Calculated Properties
JChem
Acid pKa
18.916344
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2800827
LogD (pH = 7.4)
2.2800827
Log P
2.2800827
Molar Refractivity
77.3543
Polarizability
30.03755
Polar Surface Area
63.68
Rotatable Bonds
4
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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