| MolName | [1-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate |
| MolecularFormula | C26H18N2O4ClF |
| Smiles | O=C(COc(cc1)ccc1F)N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C26H18ClFN2O4/c27-19-8-5-18(6-9-19)26(32)34-24-14-7-17-3-1-2-4-22(17)23(24)15-29-30-25(31)16-33-21-12-10-20(28)11-13-21/h1-15H,16H2,(H,30,31) |
| InChIK | JCKDVSIEFFMSDS-UHFFFAOYSA-N |
| TotalMolweight | 476.89 |
| Molweight | 476.89 |
| MonoisotopicMass | 476.093913 |
| CLogP | 6.1082 |
| CLogS | -7.627 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 354.63 |
| Relative PSA | 0.19471 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.6806 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [1-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate