(NZ)-N-(2,5-dibromo-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine
Formula:C7H6N2OBr2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-(2,5-dibromo-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-(2,5-dibromo-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine |
| MolecularFormula | C7H6N2OBr2 |
| Smiles | O/N=C(\C(Cn12)Br)/c2ccc1Br |
| InChI | InChI=1S/C7H6Br2N2O/c8-4-3-11-5(7(4)10-12)1-2-6(11)9/h1-2,4,12H,3H2/t4-/m1/s1 |
| InChIK | CUNJJGRBTCNFQH-SCSAIBSYSA-N |
| TotalMolweight | 293.946 |
| Molweight | 293.946 |
| MonoisotopicMass | 291.884685 |
| CLogP | 3.0913 |
| CLogS | -2.273 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 141.8 |
| Relative PSA | 0.222 |
| PolarSurfaceArea | 37.52 |
| Druglikeness | -2.2426 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | sec./tert. alkyl-bromide/iodide |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (NZ)-N-(2,5-dibromo-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine | 2 - (NZ)-N-(2,5-dibromo-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine
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