Chem Pyrazinamide Unilink | Cheminformatics
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2D Structure

Pyrazinamide


  • SKU Code: CH139776
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Chemical Name - Pyrazinamide
Mol Weight - 123.115
Smiles - NC(c1nccnc1)=O
Property Name Property Value
Mol NamePyrazinamide
Molweight123.115
Monoisotopic Mass123.043262
Clogp-1.2009
Clogs-0.139
H Acceptors4
H Donors1
Total Surface Area97.05
Relative Psa0.51777
Polar Surface Area68.87
Druglikeness-0.67966
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Shape Index0.66667
Molecular Flexibility0.4098
Molecular Complexity0.72259
Fragments1
Non H Atoms9
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Amides1
Aromatic Nitrogens2
SmilesNC(c1nccnc1)=O
InChIKeyInChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
InChIIPEHBUMCGVEMRF-UHFFFAOYSA-N

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