Molecule
ID:121113
General Information
Molecular Formula
C₁₃H₁₃N₅O₄
Molecular Mass
303.27342
Exact Mass
303.09675392
Charge
0
InChI
InChI=1S/C13H13N5O4/c1-15-8-6(10(19)17(3)12(15)21)5-7-9(14-8)16(2)13(22)18(4)11(7)20/h5H,1-4H3
InChIKey
WBKPVHNGZBBJTE-UHFFFAOYSA-N
Canonic Smiles
Cn1c2nc3c(cc2c(=O)n(c1=O)C)c(=O)n(c(=O)n3C)C
Isomeric Smiles
c12n(c(=O)n(c(=O)c1cc1c(n(c(=O)n(c1=O)C)C)n2)C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-0.33262375
LogD (pH = 7.4)
-0.33262375
Log P
-0.33262375
Molar Refractivity
75.9895
Polarizability
27.322227
Polar Surface Area
94.13
Rotatable Bonds
0
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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