Molecule

ID:121647

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₄O₄
Molecular Mass
266.25326
Exact Mass
266.10150495
Charge
0
InChI
InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3
InChIKey
HWXIGFIVGWUZAO-UHFFFAOYSA-N
Canonic Smiles
Cn1c(=O)n(C)c2c(c1=O)n(cn2)CC1OCCO1
Isomeric Smiles
c12c(c(=O)n(c(=O)n1C)C)n(cn2)CC1OCCO1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.49
LogD (pH = 5.5)
-0.49
Log P
-0.49
Rotatable Bonds
2
H Donor
0
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
-1.30
Polar Surface Area
76.90
Polarizability
25.93
Molar Refractivity
64.69
LOG S
-0.79
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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