2-bromo-5-[(Z)-2-bromo-2-nitroethenyl]furan
Formula:C6H3NO3Br2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-bromo-5-[(Z)-2-bromo-2-nitroethenyl]furan is a drug-like molecule.
| MolName | 2-bromo-5-[(Z)-2-bromo-2-nitroethenyl]furan |
| MolecularFormula | C6H3NO3Br2 |
| Smiles | [O-][N+](/C(/Br)=C/c(o1)ccc1Br)=O |
| InChI | InChI=1S/C6H3Br2NO3/c7-5(9(10)11)3-4-1-2-6(8)12-4/h1-3H |
| InChIK | MJPPGVVIDGQOQT-UHFFFAOYSA-N |
| TotalMolweight | 296.902 |
| Molweight | 296.902 |
| MonoisotopicMass | 294.847966 |
| CLogP | 1.9656 |
| CLogS | -3.804 |
| H Acceptors | 4 |
| TotalSurfaceArea | 148.59 |
| Relative PSA | 0.29968 |
| PolarSurfaceArea | 58.96 |
| Druglikeness | -7.9931 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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