N-[(Z)-(4-bromophenyl)methylideneamino]-1-phenacylpyridin-1-ium-3-carboxamide
Formula:C21H17N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-1-phenacylpyridin-1-ium-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-1-phenacylpyridin-1-ium-3-carboxamide |
| MolecularFormula | C21H17N3O2Br |
| Smiles | O=C(C[n+]1cccc(C(N/N=C\c(cc2)ccc2Br)=O)c1)c1ccccc1 |
| InChI | InChI=1S/C21H16BrN3O2/c22-19-10-8-16(9-11-19)13-23-24-21(27)18-7-4-12-25(14-18)15-20(26)17-5-2-1-3-6-17/h1-14H,15H2/p+1 |
| InChIK | JADPQVCFSSUQGH-UHFFFAOYSA-O |
| TotalMolweight | 423.289 |
| Molweight | 423.289 |
| MonoisotopicMass | 422.050413 |
| CLogP | -0.1881 |
| CLogS | -4.744 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 294.19 |
| Relative PSA | 0.17611 |
| PolarSurfaceArea | 62.41 |
| Druglikeness | 2.5605 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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