| MolName | [4-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C29H24N2O5 |
| Smiles | O=C(COc(cc1)ccc1OCc1ccccc1)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C29H24N2O5/c32-28(21-35-26-17-15-25(16-18-26)34-20-23-7-3-1-4-8-23)31-30-19-22-11-13-27(14-12-22)36-29(33)24-9-5-2-6-10-24/h1-19H,20-21H2,(H,31,32) |
| InChIK | ZKBWOYYSLOVNAC-UHFFFAOYSA-N |
| TotalMolweight | 480.519 |
| Molweight | 480.519 |
| MonoisotopicMass | 480.168523 |
| CLogP | 5.5551 |
| CLogS | -6.312 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 381.78 |
| Relative PSA | 0.20706 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | 3.9689 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate