Molecule

ID:114910

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄O₂
Molecular Mass
220.22788
Exact Mass
220.09602564
Charge
0
InChI
InChI=1S/C10H12N4O2/c1-5-4-12-8-6(7(5)11)9(15)14(3)10(16)13(8)2/h4H,1-3H3,(H2,11,12)
InChIKey
ILCHHQGAWJFUQO-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc2c(c1N)c(=O)n(c(=O)n2C)C
Isomeric Smiles
n1(c(=O)n(c2c(c1=O)c(c(cn2)C)N)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.24190418
LogD (pH = 7.4)
0.5402718
Log P
0.54597026
Molar Refractivity
59.6869
Polarizability
21.240376
Polar Surface Area
79.53
Rotatable Bonds
0
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
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References
Bioactivity
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