| MolName | [(Z)-(2,6-dichlorophenyl)methylideneamino] 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxylate |
| MolecularFormula | C18H10N2O2Cl4S |
| Smiles | O=C(c1csc(Cc(c(Cl)ccc2)c2Cl)n1)O/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C18H10Cl4N2O2S/c19-12-3-1-4-13(20)10(12)7-17-24-16(9-27-17)18(25)26-23-8-11-14(21)5-2-6-15(11)22/h1-6,8-9H,7H2 |
| InChIK | BHZAFHRVVDIGAS-UHFFFAOYSA-N |
| TotalMolweight | 460.167 |
| Molweight | 460.167 |
| MonoisotopicMass | 457.921706 |
| CLogP | 7.0421 |
| CLogS | -7.48 |
| H Acceptors | 4 |
| TotalSurfaceArea | 315.43 |
| Relative PSA | 0.20886 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 0.37089 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(Z)-(2,6-dichlorophenyl)methylideneamino] 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxylate | 2 - [(Z)-(2,6-dichlorophenyl)methylideneamino] 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxylate