N-[(Z)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide
Formula:C15H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C15H11N3O2 |
| Smiles | O=C(c1cc(cccc2)c2o1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C15H11N3O2/c19-15(18-17-10-11-5-7-16-8-6-11)14-9-12-3-1-2-4-13(12)20-14/h1-10H,(H,18,19) |
| InChIK | HJIMMCXABJUTFU-UHFFFAOYSA-N |
| TotalMolweight | 265.271 |
| Molweight | 265.271 |
| MonoisotopicMass | 265.085127 |
| CLogP | 2.7063 |
| CLogS | -4.109 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 210.04 |
| Relative PSA | 0.29085 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 4.6813 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| 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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