N-[(Z)-anthracen-9-ylmethylideneamino]-2-pyridin-1-ium-1-ylacetamide
Formula:C22H18N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-pyridin-1-ium-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-pyridin-1-ium-1-ylacetamide |
| MolecularFormula | C22H18N3O |
| Smiles | O=C(C[n+]1ccccc1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C22H17N3O/c26-22(16-25-12-6-1-7-13-25)24-23-15-21-19-10-4-2-8-17(19)14-18-9-3-5-11-20(18)21/h1-15H,16H2/p+1 |
| InChIK | FWLTUMVPHWXFEB-UHFFFAOYSA-O |
| TotalMolweight | 340.405 |
| Molweight | 340.405 |
| MonoisotopicMass | 340.144987 |
| CLogP | 0.1605 |
| CLogS | -5.268 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 267.25 |
| Relative PSA | 0.14507 |
| PolarSurfaceArea | 45.34 |
| Druglikeness | 4.067 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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