Molecule

ID:65726

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₅
Molecular Mass
253.2512
Exact Mass
253.09502259
Charge
0
InChI
InChI=1S/C12H15NO5/c1-3-16-11(14)8-18-10-7-13-6-5-9(10)12(15)17-4-2/h5-7H,3-4,8H2,1-2H3
InChIKey
MXXGKYQXHNGUIW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)COc1cnccc1C(=O)OCC
Isomeric Smiles
c1cc(c(cn1)OCC(=O)OCC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.936503
LogD (pH = 7.4)
0.9388424
Log P
0.93887234
Molar Refractivity
62.7405
Polarizability
24.593117
Polar Surface Area
74.72
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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