Chem Barbituric Acid 2 | Cheminformatics
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2D Structure

Barbituric Acid


  • SKU Code: CH137404
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Chemical Name - Barbituric Acid
Mol Weight - 128.087
Smiles - O=C(CC(N1)=O)NC1=O
Property Name Property Value
Mol NameBarbituric Acid
Molweight128.087
Monoisotopic Mass128.022193
Clogp-1.3399
Clogs-1.01
H Acceptors5
H Donors2
Total Surface Area89.93
Relative Psa0.68987
Polar Surface Area75.27
Druglikeness-0.9435
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Shape Index0.55556
Molecular Flexibility0.10381
Molecular Complexity0.67701
Fragments1
Non H Atoms9
Non Ch Atoms5
Electronegative Atoms5
Rings Closures1
Small Rings1
Sp3 Atoms1
Symmetric Atoms3
Amides2
SmilesO=C(CC(N1)=O)NC1=O
InChIKeyInChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
InChIHNYOPLTXPVRDBG-UHFFFAOYSA-N

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