6-chloro-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridine-3-carboxamide
Formula:C13H8N3OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
6-chloro-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 6-chloro-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C13H8N3OCl3 |
| Smiles | O=C(c(cc1)cnc1Cl)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C13H8Cl3N3O/c14-10-2-1-3-11(15)9(10)7-18-19-13(20)8-4-5-12(16)17-6-8/h1-7H,(H,19,20) |
| InChIK | KBMNZDDTZRXECU-UHFFFAOYSA-N |
| TotalMolweight | 328.586 |
| Molweight | 328.586 |
| MonoisotopicMass | 326.973293 |
| CLogP | 4.1161 |
| CLogS | -4.897 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 232.01 |
| Relative PSA | 0.20249 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.4715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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