(2E)-N-anilino-4-(4-chlorophenyl)-1,3-thiazole-2-carboximidoyl cyanide
Formula:C17H11N4ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2E)-N-anilino-4-(4-chlorophenyl)-1,3-thiazole-2-carboximidoyl cyanide is not a drug-like molecule.
| MolName | (2E)-N-anilino-4-(4-chlorophenyl)-1,3-thiazole-2-carboximidoyl cyanide |
| MolecularFormula | C17H11N4ClS |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C17H11ClN4S/c18-13-8-6-12(7-9-13)16-11-23-17(20-16)15(10-19)22-21-14-4-2-1-3-5-14/h1-9,11,21H |
| InChIK | MJEURDDFVXDTCA-UHFFFAOYSA-N |
| TotalMolweight | 338.821 |
| Molweight | 338.821 |
| MonoisotopicMass | 338.039293 |
| CLogP | 5.2107 |
| CLogS | -5.201 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 259.04 |
| Relative PSA | 0.26197 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -0.35901 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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