| MolName | 4-(4-chlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C16H10N3Cl3S |
| Smiles | Clc(cc1)ccc1-c1csc(N/N=C\c(ccc(Cl)c2)c2Cl)n1 |
| InChI | InChI=1S/C16H10Cl3N3S/c17-12-4-1-10(2-5-12)15-9-23-16(21-15)22-20-8-11-3-6-13(18)7-14(11)19/h1-9H,(H,21,22) |
| InChIK | OKCPVQKYKQFHQX-UHFFFAOYSA-N |
| TotalMolweight | 382.701 |
| Molweight | 382.701 |
| MonoisotopicMass | 380.966098 |
| CLogP | 8.0344 |
| CLogS | -6.868 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 269.96 |
| Relative PSA | 0.20114 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 4.0061 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-(4-chlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,3-thiazol-2-amine | 2 - 4-(4-chlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,3-thiazol-2-amine