N-[(Z)-(4-nitrophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
Formula:C14H13N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide |
| MolecularFormula | C14H13N4O3 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C[n+]2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C14H12N4O3/c19-14(11-17-8-2-1-3-9-17)16-15-10-12-4-6-13(7-5-12)18(20)21/h1-10H,11H2/p+1 |
| InChIK | UGGKTJNTXNGTFT-UHFFFAOYSA-O |
| TotalMolweight | 285.282 |
| Molweight | 285.282 |
| MonoisotopicMass | 285.098766 |
| CLogP | -3.1499 |
| CLogS | -2.516 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 221.72 |
| Relative PSA | 0.31206 |
| PolarSurfaceArea | 91.16 |
| Druglikeness | -0.75305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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