N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]pyridine-4-carboxamide
Formula:C13H9N3OBrF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C13H9N3OBrF |
| Smiles | O=C(c1ccncc1)N/N=C\c(cc1)cc(Br)c1F |
| InChI | InChI=1S/C13H9BrFN3O/c14-11-7-9(1-2-12(11)15)8-17-18-13(19)10-3-5-16-6-4-10/h1-8H,(H,18,19) |
| InChIK | SVAXXQSJMVWPCT-UHFFFAOYSA-N |
| TotalMolweight | 322.136 |
| Molweight | 322.136 |
| MonoisotopicMass | 320.991301 |
| CLogP | 3.0267 |
| CLogS | -4.074 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 210.73 |
| Relative PSA | 0.22294 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 1.3387 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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