5-bromo-N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxamide
Formula:C13H8N3OBrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C13H8N3OBrCl2 |
| Smiles | O=C(c1cc(Br)cnc1)N/N=C/c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C13H8BrCl2N3O/c14-10-3-9(5-17-7-10)13(20)19-18-6-8-1-2-11(15)4-12(8)16/h1-7H,(H,19,20) |
| InChIK | ZFHSLXJSMHIRGS-UHFFFAOYSA-N |
| TotalMolweight | 373.037 |
| Molweight | 373.037 |
| MonoisotopicMass | 370.922777 |
| CLogP | 4.1379 |
| CLogS | -5.232 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 235.22 |
| Relative PSA | 0.19973 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 2.6815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| 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 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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