| MolName | [4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate |
| MolecularFormula | C22H16N2O4ClF |
| Smiles | O=C(COc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OC(c1cc(F)ccc1)=O |
| InChI | InChI=1S/C22H16ClFN2O4/c23-17-6-10-19(11-7-17)29-14-21(27)26-25-13-15-4-8-20(9-5-15)30-22(28)16-2-1-3-18(24)12-16/h1-13H,14H2,(H,26,27) |
| InChIK | BWFCRHZEOZQVQO-UHFFFAOYSA-N |
| TotalMolweight | 426.83 |
| Molweight | 426.83 |
| MonoisotopicMass | 426.078263 |
| CLogP | 4.9138 |
| CLogS | -6.021 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 320.03 |
| Relative PSA | 0.21576 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.6806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate | 2 - [4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate