Molecule

ID:121366

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂O₄
Molecular Mass
264.27714
Exact Mass
264.111007
Charge
0
InChI
InChI=1S/C13H16N2O4/c1-18-12(16)10-4-2-3-5-11(10)14-13(17)15-6-8-19-9-7-15/h2-5H,6-9H2,1H3,(H,14,17)
InChIKey
YAJUUSJFJYVEJB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1NC(=O)N1CCOCC1
Isomeric Smiles
C(=O)(Nc1c(C(=O)OC)cccc1)N1CCOCC1
Calculated Properties
JChem
Acid pKa
11.794722
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.759739
LogD (pH = 7.4)
1.7597227
Log P
1.7597393
Molar Refractivity
70.4909
Polarizability
26.311617
Polar Surface Area
67.87
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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