| MolName | 1-N,3-N-bis[(Z)-(3-bromophenyl)methylideneamino]benzene-1,3-dicarboxamide |
| MolecularFormula | C22H16N4O2Br2 |
| Smiles | O=C(c1cccc(C(N/N=C\c2cccc(Br)c2)=O)c1)N/N=C\c1cc(Br)ccc1 |
| InChI | InChI=1S/C22H16Br2N4O2/c23-19-8-1-4-15(10-19)13-25-27-21(29)17-6-3-7-18(12-17)22(30)28-26-14-16-5-2-9-20(24)11-16/h1-14H,(H,27,29)(H,28,30) |
| InChIK | FINBAZCEYFHVLL-UHFFFAOYSA-N |
| TotalMolweight | 528.203 |
| Molweight | 528.203 |
| MonoisotopicMass | 525.963998 |
| CLogP | 6.194 |
| CLogS | -7.494 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 337.98 |
| Relative PSA | 0.21309 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | 2.6787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 14 |
| StereoCon |
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1 - 1-N,3-N-bis[(Z)-(3-bromophenyl)methylideneamino]benzene-1,3-dicarboxamide | 2 - 1-N,3-N-bis[(Z)-(3-bromophenyl)methylideneamino]benzene-1,3-dicarboxamide