Molecule

ID:40479

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₄
Molecular Mass
237.2518
Exact Mass
237.10010797
Charge
0
InChI
InChI=1S/C12H15NO4/c1-3-17-11(14)8-13-12(15)9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKey
ZFELUNTWQDERLR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNC(=O)c1ccc(cc1)OC
Isomeric Smiles
C(=O)(NCC(=O)OCC)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
15.0023155
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8705762
LogD (pH = 7.4)
0.8705762
Log P
0.8705762
Molar Refractivity
62.0986
Polarizability
23.853184
Polar Surface Area
64.63
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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