| MolName | [4-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate |
| MolecularFormula | C24H17N3O3Cl2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)Oc1ccc(/C=N\Nc2cccc3cccnc23)cc1 |
| InChI | InChI=1S/C24H17Cl2N3O3/c25-18-8-11-22(20(26)13-18)31-15-23(30)32-19-9-6-16(7-10-19)14-28-29-21-5-1-3-17-4-2-12-27-24(17)21/h1-14,29H,15H2 |
| InChIK | CNPOPNQUKNQLRY-UHFFFAOYSA-N |
| TotalMolweight | 466.323 |
| Molweight | 466.323 |
| MonoisotopicMass | 465.064696 |
| CLogP | 7.3743 |
| CLogS | -6.577 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 344.71 |
| Relative PSA | 0.19431 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 1.8045 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate | 2 - [4-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate