5-chloro-4-(4-chlorophenyl)-N-[(Z)-pyridin-2-ylmethylideneamino]thiophen-3-amine
Formula:C16H11N3Cl2S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
5-chloro-4-(4-chlorophenyl)-N-[(Z)-pyridin-2-ylmethylideneamino]thiophen-3-amine is not a drug-like molecule.
| MolName | 5-chloro-4-(4-chlorophenyl)-N-[(Z)-pyridin-2-ylmethylideneamino]thiophen-3-amine |
| MolecularFormula | C16H11N3Cl2S |
| Smiles | Clc(scc1N/N=C\c2ncccc2)c1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H11Cl2N3S/c17-12-6-4-11(5-7-12)15-14(10-22-16(15)18)21-20-9-13-3-1-2-8-19-13/h1-10,21H |
| InChIK | DMWNKOBFZCNDEQ-UHFFFAOYSA-N |
| TotalMolweight | 348.256 |
| Molweight | 348.256 |
| MonoisotopicMass | 347.005071 |
| CLogP | 6.7543 |
| CLogS | -5.853 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 254.54 |
| Relative PSA | 0.21333 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 3.3608 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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