1,2-dihydroperoxyethyne
Formula:C2H2O4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
1,2-dihydroperoxyethyne is a drug-like molecule.
| MolName | 1,2-dihydroperoxyethyne |
| MolecularFormula | C2H2O4 |
| Smiles | OOC#COO |
| InChI | InChI=1S/C2H2O4/c3-5-1-2-6-4/h3-4H |
| InChIK | RKKLUIDQYZXUBD-UHFFFAOYSA-N |
| TotalMolweight | 90.0339 |
| Molweight | 90.0339 |
| MonoisotopicMass | 89.99531 |
| CLogP | 0.2544 |
| CLogS | -0.968 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 76 |
| Relative PSA | 0.60789 |
| PolarSurfaceArea | 58.92 |
| Druglikeness | -3.856 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | peroxo |
| Shape Index | 1 |
| Fragments | 1 |
| Non HAtoms | 6 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 1,2-dihydroperoxyethyne | 2 - 1,2-dihydroperoxyethyne
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