5-bromo-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2-carboxamide
Formula:C12H7N2O2BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
5-bromo-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2-carboxamide |
| MolecularFormula | C12H7N2O2BrCl2 |
| Smiles | O=C(c(o1)ccc1Br)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C12H7BrCl2N2O2/c13-11-5-4-10(19-11)12(18)17-16-6-7-8(14)2-1-3-9(7)15/h1-6H,(H,17,18) |
| InChIK | SIDIDYDFLPHIGZ-UHFFFAOYSA-N |
| TotalMolweight | 362.01 |
| Molweight | 362.01 |
| MonoisotopicMass | 359.906793 |
| CLogP | 4.4249 |
| CLogS | -5.472 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 226.15 |
| Relative PSA | 0.22162 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 2.3317 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 3 |
| StereoCon |
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