1-phenacyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide
Formula:C28H24N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-phenacyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide is a drug-like molecule.
| MolName | 1-phenacyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide |
| MolecularFormula | C28H24N3O3 |
| Smiles | O=C(C[n+](cc1)ccc1C(N/N=C\c(cc1)ccc1OCc1ccccc1)=O)c1ccccc1 |
| InChI | InChI=1S/C28H23N3O3/c32-27(24-9-5-2-6-10-24)20-31-17-15-25(16-18-31)28(33)30-29-19-22-11-13-26(14-12-22)34-21-23-7-3-1-4-8-23/h1-19H,20-21H2/p+1 |
| InChIK | QASHEFSPYKEOLB-UHFFFAOYSA-O |
| TotalMolweight | 450.517 |
| Molweight | 450.517 |
| MonoisotopicMass | 450.181767 |
| CLogP | 0.4348 |
| CLogS | -5.251 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 359.08 |
| Relative PSA | 0.17213 |
| PolarSurfaceArea | 71.64 |
| Druglikeness | 4.0124 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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