Molecule

ID:81361

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O₃
Molecular Mass
225.2444
Exact Mass
225.11134136
Charge
0
InChI
InChI=1S/C10H15N3O3/c1-5-16-10(15)9(14)11-8-6(2)12-13(4)7(8)3/h5H2,1-4H3,(H,11,14)
InChIKey
GKMGQWGCESBWSC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)Nc1c(C)nn(c1C)C
Isomeric Smiles
n1c(c(c(n1C)C)NC(=O)C(=O)OCC)C
Calculated Properties
JChem
Acid pKa
9.619343
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.66460496
LogD (pH = 7.4)
0.6628853
Log P
0.6653772
Molar Refractivity
70.8782
Polarizability
21.841896
Polar Surface Area
73.22
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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