Chemical Name - Alloxan Monohydrate
Mol Weight - 142.07
Smiles - O=C(C(NC(N1)=O)=O)C1=O.O
Mol Weight - 142.07
Smiles - O=C(C(NC(N1)=O)=O)C1=O.O
| Property Value | |
| Mol Name | Alloxan Monohydrate |
| Molweight | 142.07 |
| Monoisotopic Mass | 142.001458 |
| Clogp | -2.0483 |
| Clogs | -0.662 |
| H Acceptors | 6 |
| H Donors | 2 |
| Total Surface Area | 93.92 |
| Relative Psa | 0.7994 |
| Polar Surface Area | 92.34 |
| Druglikeness | -1.6302 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.6 |
| Molecular Flexibility | 0.18669 |
| Molecular Complexity | 0.67346 |
| Fragments | 2 |
| Non H Atoms | 10 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Symmetric Atoms | 3 |
| Amides | 2 |
| Smiles | O=C(C(NC(N1)=O)=O)C1=O.O |
| InChIKey | InChI=1S/C4H2N2O4.H2O/c7-1-2(8)5-4(10)6-3(1)9;/h(H2,5,6,8,9,10);1H2 |
| InChI | DSXMTJRUNLATRP-UHFFFAOYSA-N |
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1 - Alloxan Monohydrate
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