N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]furan-2-carboxamide
Formula:C17H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]furan-2-carboxamide |
| MolecularFormula | C17H13N3O2 |
| Smiles | O=C(c1ccco1)N/N=C(\c1ccccc1)/c1ncccc1 |
| InChI | InChI=1S/C17H13N3O2/c21-17(15-10-6-12-22-15)20-19-16(13-7-2-1-3-8-13)14-9-4-5-11-18-14/h1-12H,(H,20,21) |
| InChIK | JEVZNRZJHVKLFY-UHFFFAOYSA-N |
| TotalMolweight | 291.309 |
| Molweight | 291.309 |
| MonoisotopicMass | 291.100777 |
| CLogP | 2.6401 |
| CLogS | -4.408 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 233.41 |
| Relative PSA | 0.26173 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 3.4636 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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