Molecule

ID:53273

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₄
Molecular Mass
226.22916
Exact Mass
226.09535694
Charge
0
InChI
InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)
InChIKey
XKKCQTLDIPIRQD-UHFFFAOYSA-N
Canonic Smiles
Cc1cn(C2CCC(O2)CO)c(=O)[nH]c1=O
Isomeric Smiles
[nH]1c(=O)n(cc(c1=O)C)C1OC(CC1)CO
Calculated Properties
JChem
Acid pKa
9.960478
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.4104157
LogD (pH = 7.4)
-0.41158038
Log P
-0.41040084
Molar Refractivity
54.6181
Polarizability
21.309355
Polar Surface Area
78.87
Rotatable Bonds
2
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
References
Bioactivity
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