| MolName | [(Z)-(2,6-dichlorophenyl)methylideneamino] N-[3-(2,6-dichlorophenyl)-1,2-thiazol-4-yl]carbamate |
| MolecularFormula | C17H9N3O2Cl4S |
| Smiles | O=C(Nc1csnc1-c(c(Cl)ccc1)c1Cl)O/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C17H9Cl4N3O2S/c18-10-3-1-4-11(19)9(10)7-22-26-17(25)23-14-8-27-24-16(14)15-12(20)5-2-6-13(15)21/h1-8H,(H,23,25) |
| InChIK | LZACBVQXZLISMB-UHFFFAOYSA-N |
| TotalMolweight | 461.155 |
| Molweight | 461.155 |
| MonoisotopicMass | 458.916955 |
| CLogP | 7.3619 |
| CLogS | -7.249 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 313.13 |
| Relative PSA | 0.24699 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | -9.649 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(Z)-(2,6-dichlorophenyl)methylideneamino] N-[3-(2,6-dichlorophenyl)-1,2-thiazol-4-yl]carbamate | 2 - [(Z)-(2,6-dichlorophenyl)methylideneamino] N-[3-(2,6-dichlorophenyl)-1,2-thiazol-4-yl]carbamate