5-bromo-N-[(Z)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide
Formula:C15H10N3O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C15H10N3O2Br |
| Smiles | O=C(c1cc(cc(cc2)Br)c2o1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C15H10BrN3O2/c16-12-1-2-13-11(7-12)8-14(21-13)15(20)19-18-9-10-3-5-17-6-4-10/h1-9H,(H,19,20) |
| InChIK | NGQFXFVMUJCWMN-UHFFFAOYSA-N |
| TotalMolweight | 344.167 |
| Molweight | 344.167 |
| MonoisotopicMass | 342.995638 |
| CLogP | 3.4315 |
| CLogS | -4.943 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 228.67 |
| Relative PSA | 0.26715 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 2.8913 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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