5-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]pyridine-3-carboxamide
Formula:C13H9N3OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C13H9N3OBrCl |
| Smiles | O=C(c1cc(Br)cnc1)N/N=C/c1cc(Cl)ccc1 |
| InChI | InChI=1S/C13H9BrClN3O/c14-11-5-10(7-16-8-11)13(19)18-17-6-9-2-1-3-12(15)4-9/h1-8H,(H,18,19) |
| InChIK | BESLBALJYTZBGN-UHFFFAOYSA-N |
| TotalMolweight | 338.591 |
| Molweight | 338.591 |
| MonoisotopicMass | 336.96175 |
| CLogP | 3.5319 |
| CLogS | -4.496 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 219.8 |
| Relative PSA | 0.21374 |
| 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 | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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