N-[(Z)-furan-2-ylmethylideneamino]-1-phenacylpyridin-1-ium-4-carboxamide
Formula:C19H16N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-1-phenacylpyridin-1-ium-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-1-phenacylpyridin-1-ium-4-carboxamide |
| MolecularFormula | C19H16N3O3 |
| Smiles | O=C(C[n+](cc1)ccc1C(N/N=C\c1ccco1)=O)c1ccccc1 |
| InChI | InChI=1S/C19H15N3O3/c23-18(15-5-2-1-3-6-15)14-22-10-8-16(9-11-22)19(24)21-20-13-17-7-4-12-25-17/h1-13H,14H2/p+1 |
| InChIK | AGSHKSWBWYJFSB-UHFFFAOYSA-O |
| TotalMolweight | 334.354 |
| Molweight | 334.354 |
| MonoisotopicMass | 334.119167 |
| CLogP | -1.7246 |
| CLogS | -3.592 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 265.25 |
| Relative PSA | 0.24852 |
| PolarSurfaceArea | 75.55 |
| Druglikeness | 4.2258 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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