4-amino-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
Formula:C8H6N5O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-amino-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide |
| MolecularFormula | C8H6N5O3Br |
| Smiles | Nc1nonc1C(N/N=C\c(o1)ccc1Br)=O |
| InChI | InChI=1S/C8H6BrN5O3/c9-5-2-1-4(16-5)3-11-12-8(15)6-7(10)14-17-13-6/h1-3H,(H2,10,14)(H,12,15) |
| InChIK | QQMJLGYVMWEYHO-UHFFFAOYSA-N |
| TotalMolweight | 300.072 |
| Molweight | 300.072 |
| MonoisotopicMass | 298.965401 |
| CLogP | 1.4523 |
| CLogS | -2.868 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 191.04 |
| Relative PSA | 0.53099 |
| PolarSurfaceArea | 119.54 |
| Druglikeness | 4.8435 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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