Molecule

ID:56023

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄O₂
Molecular Mass
220.22788
Exact Mass
220.09602564
Charge
0
InChI
InChI=1S/C10H12N4O2/c1-12-9(15)14(10(16)13(12)2)8-5-3-4-7(11)6-8/h3-6H,11H2,1-2H3
InChIKey
LABROZRLPSCPEO-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)n1c(=O)n(n(c1=O)C)C
Isomeric Smiles
n1(c(=O)n(n(c1=O)C)C)c1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.22788803
LogD (pH = 7.4)
0.23207492
Log P
0.23212856
Molar Refractivity
58.9533
Polarizability
21.693935
Polar Surface Area
69.88
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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