| MolName | 5-bromo-N-[(E)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]furan-2-carboxamide |
| MolecularFormula | C12H10N3O4Br |
| Smiles | NNC(/C(/NC(c(o1)ccc1Br)=O)=C\c1ccco1)=O |
| InChI | InChI=1S/C12H10BrN3O4/c13-10-4-3-9(20-10)12(18)15-8(11(17)16-14)6-7-2-1-5-19-7/h1-6H,14H2,(H,15,18)(H,16,17) |
| InChIK | ZCSJOPFCLLZNTD-UHFFFAOYSA-N |
| TotalMolweight | 340.132 |
| Molweight | 340.132 |
| MonoisotopicMass | 338.985468 |
| CLogP | 0.7995 |
| CLogS | -3.688 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 222.68 |
| Relative PSA | 0.41535 |
| PolarSurfaceArea | 110.5 |
| Druglikeness | -5.315 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | hydrazine |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-bromo-N-[(E)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]furan-2-carboxamide | 2 - 5-bromo-N-[(E)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]furan-2-carboxamide