Molecule

ID:122151

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O₄
Molecular Mass
266.29302
Exact Mass
266.12665707
Charge
0
InChI
InChI=1S/C13H18N2O4/c1-5-15-9(4)12(8(3)14-15)10(16)7-11(17)13(18)19-6-2/h5-7H2,1-4H3
InChIKey
TZFQHXZYCKVKLH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)CC(=O)c1c(C)nn(c1C)CC
Isomeric Smiles
c1(c(nn(c1C)CC)C)C(=O)CC(=O)C(=O)OCC
Calculated Properties
JChem
Acid pKa
8.814685
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.5631516
LogD (pH = 7.4)
1.5475769
Log P
1.5639763
Molar Refractivity
81.0618
Polarizability
26.290628
Polar Surface Area
78.26
Rotatable Bonds
7
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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