1-(2,6-dichloropyridin-4-yl)-3-[(Z)-pyridin-3-ylmethylideneamino]urea
Formula:C12H9N5OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(2,6-dichloropyridin-4-yl)-3-[(Z)-pyridin-3-ylmethylideneamino]urea is a drug-like molecule.
| MolName | 1-(2,6-dichloropyridin-4-yl)-3-[(Z)-pyridin-3-ylmethylideneamino]urea |
| MolecularFormula | C12H9N5OCl2 |
| Smiles | O=C(Nc1cc(Cl)nc(Cl)c1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C12H9Cl2N5O/c13-10-4-9(5-11(14)18-10)17-12(20)19-16-7-8-2-1-3-15-6-8/h1-7H,(H2,17,18,19,20) |
| InChIK | ACBXYSZXSMYZQA-UHFFFAOYSA-N |
| TotalMolweight | 310.143 |
| Molweight | 310.143 |
| MonoisotopicMass | 309.018414 |
| CLogP | 2.6005 |
| CLogS | -3.645 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 226.81 |
| Relative PSA | 0.30603 |
| PolarSurfaceArea | 79.27 |
| Druglikeness | 3.8021 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-(2,6-dichloropyridin-4-yl)-3-[(Z)-pyridin-3-ylmethylideneamino]urea | 2 - 1-(2,6-dichloropyridin-4-yl)-3-[(Z)-pyridin-3-ylmethylideneamino]urea
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