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Chem Alloxan Monohydrate | Cheminformatics

Alloxan Monohydrate


  • SKU Code: CH137407
Chemical Name - Alloxan Monohydrate
Mol Weight - 142.07
Smiles - O=C(C(NC(N1)=O)=O)C1=O.O
Property Name Property Value
Mol NameAlloxan Monohydrate
Molweight142.07
Monoisotopic Mass142.001458
Clogp-2.0483
Clogs-0.662
H Acceptors6
H Donors2
Total Surface Area93.92
Relative Psa0.7994
Polar Surface Area92.34
Druglikeness-1.6302
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Shape Index0.6
Molecular Flexibility0.18669
Molecular Complexity0.67346
Fragments2
Non H Atoms10
Non Ch Atoms6
Electronegative Atoms6
Rings Closures1
Small Rings1
Symmetric Atoms3
Amides2
SmilesO=C(C(NC(N1)=O)=O)C1=O.O
InChIKeyInChI=1S/C4H2N2O4.H2O/c7-1-2(8)5-4(10)6-3(1)9;/h(H2,5,6,8,9,10);1H2
InChIDSXMTJRUNLATRP-UHFFFAOYSA-N

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1 - Alloxan Monohydrate
2 - Alloxan Monohydrate
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