| MolName | [2-(4-bromobenzoyl)oxy-4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate |
| MolecularFormula | C33H22N2O6Br2 |
| Smiles | O=C(COc1cc2ccccc2cc1)N/N=C\c(cc1)cc(OC(c(cc2)ccc2Br)=O)c1OC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C33H22Br2N2O6/c34-26-11-6-23(7-12-26)32(39)42-29-16-5-21(17-30(29)43-33(40)24-8-13-27(35)14-9-24)19-36-37-31(38)20-41-28-15-10-22-3-1-2-4-25(22)18-28/h1-19H,20H2,(H,37,38) |
| InChIK | SDEGTDUFHRMUJK-UHFFFAOYSA-N |
| TotalMolweight | 702.354 |
| Molweight | 702.354 |
| MonoisotopicMass | 699.98446 |
| CLogP | 8.2823 |
| CLogS | -9.715 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 457.63 |
| Relative PSA | 0.20123 |
| PolarSurfaceArea | 103.29 |
| Druglikeness | 2.1789 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53488 |
| Fragments | 1 |
| Non HAtoms | 43 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 11 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [2-(4-bromobenzoyl)oxy-4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate | 2 - [2-(4-bromobenzoyl)oxy-4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate