| MolName | [4-[(Z)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate |
| MolecularFormula | C23H13N3O2Cl4S |
| Smiles | O=C(c(cc1)cc(Cl)c1Cl)Oc1ccc(/C=N\Nc2nc(-c(ccc(Cl)c3)c3Cl)cs2)cc1 |
| InChI | InChI=1S/C23H13Cl4N3O2S/c24-15-4-7-17(19(26)10-15)21-12-33-23(29-21)30-28-11-13-1-5-16(6-2-13)32-22(31)14-3-8-18(25)20(27)9-14/h1-12H,(H,29,30) |
| InChIK | LMJILTLFAXYDDC-UHFFFAOYSA-N |
| TotalMolweight | 537.253 |
| Molweight | 537.253 |
| MonoisotopicMass | 534.948255 |
| CLogP | 10.071 |
| CLogS | -9.074 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 372.89 |
| Relative PSA | 0.20741 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | 3.6613 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - [4-[(Z)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate | 2 - [4-[(Z)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate