Molecule
ID:124136
General Information
Molecular Formula
C₁₀H₁₂N₄O₂
Molecular Mass
220.22788
Exact Mass
220.09602564
Charge
0
InChI
InChI=1S/C10H12N4O2/c1-6-5-7(2)14-10(11-6)12-8(13-14)3-4-9(15)16/h5H,3-4H2,1-2H3,(H,15,16)
InChIKey
LPCCSKRCCNGAQB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1nn2c(n1)nc(cc2C)C
Isomeric Smiles
c12n(nc(n1)CCC(=O)O)c(cc(n2)C)C
Calculated Properties
JChem
Acid pKa
3.8080535
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.6382598
LogD (pH = 7.4)
-2.233523
Log P
1.0570403
Molar Refractivity
68.8638
Polarizability
21.162392
Polar Surface Area
80.38
Rotatable Bonds
3
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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