| MolName | [2,4-dibromo-6-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C26H17N2O3Br3 |
| Smiles | O=C(Cc(c1ccccc11)ccc1Br)N/N=C\c1cc(Br)cc(Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C26H17Br3N2O3/c27-19-12-18(25(23(29)14-19)34-26(33)16-6-2-1-3-7-16)15-30-31-24(32)13-17-10-11-22(28)21-9-5-4-8-20(17)21/h1-12,14-15H,13H2,(H,31,32) |
| InChIK | GXBLRPZKMMWZJQ-UHFFFAOYSA-N |
| TotalMolweight | 645.144 |
| Molweight | 645.144 |
| MonoisotopicMass | 641.878926 |
| CLogP | 8.0002 |
| CLogS | -9.264 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 378.75 |
| Relative PSA | 0.15591 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 2.239 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [2,4-dibromo-6-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [2,4-dibromo-6-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] benzoate