Chemical Name - Barbituric Acid
Mol Weight - 128.087
Smiles - O=C(CC(N1)=O)NC1=O
Mol Weight - 128.087
Smiles - O=C(CC(N1)=O)NC1=O
| Property Value | |
| Mol Name | Barbituric Acid |
| Molweight | 128.087 |
| Monoisotopic Mass | 128.022193 |
| Clogp | -1.3399 |
| Clogs | -1.01 |
| H Acceptors | 5 |
| H Donors | 2 |
| Total Surface Area | 89.93 |
| Relative Psa | 0.68987 |
| Polar Surface Area | 75.27 |
| Druglikeness | -0.9435 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.55556 |
| Molecular Flexibility | 0.10381 |
| Molecular Complexity | 0.67701 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 3 |
| Amides | 2 |
| Smiles | O=C(CC(N1)=O)NC1=O |
| InChIKey | InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9) |
| InChI | HNYOPLTXPVRDBG-UHFFFAOYSA-N |
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1 - Barbituric Acid
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