Molecule
ID:120641
General Information
Molecular Formula
C₁₀H₁₂N₄O₂
Molecular Mass
220.22788
Exact Mass
220.09602564
Charge
0
InChI
InChI=1S/C10H12N4O2/c1-16-5-2-3-6-7(4-5)13-9(8(6)11)10(15)14-12/h2-4,13H,11-12H2,1H3,(H,14,15)
InChIKey
JGSAJTRQPOROJK-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1[nH]c2c(c1N)ccc(c2)OC
Isomeric Smiles
c1([nH]c2c(c1N)ccc(c2)OC)C(=O)NN
Calculated Properties
JChem
Acid pKa
15.029609
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
0.20815672
LogD (pH = 7.4)
0.2095584
Log P
0.20957631
Molar Refractivity
61.7481
Polarizability
23.451696
Polar Surface Area
106.16
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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