aziridine-2,3-dione
Formula:C2HNO2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
aziridine-2,3-dione is a drug-like molecule.
| MolName | aziridine-2,3-dione |
| MolecularFormula | C2HNO2 |
| Smiles | O=C1NC1=O |
| InChI | InChI=1S/C2HNO2/c4-1-2(5)3-1/h(H,3,4,5) |
| InChIK | MEVHTHLQPUQANE-UHFFFAOYSA-N |
| TotalMolweight | 71.0349 |
| Molweight | 71.0349 |
| MonoisotopicMass | 71.000729 |
| CLogP | -1.4139 |
| CLogS | -0.279 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 57.12 |
| Relative PSA | 0.83508 |
| PolarSurfaceArea | 56.08 |
| Druglikeness | -0.80756 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.8 |
| Fragments | 1 |
| Non HAtoms | 5 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - aziridine-2,3-dione | 2 - aziridine-2,3-dione
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