1-benzyl-N-[(Z)-(4-bromophenyl)methylideneamino]pyridin-1-ium-4-carboxamide
Formula:C20H17N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-benzyl-N-[(Z)-(4-bromophenyl)methylideneamino]pyridin-1-ium-4-carboxamide is a drug-like molecule.
| MolName | 1-benzyl-N-[(Z)-(4-bromophenyl)methylideneamino]pyridin-1-ium-4-carboxamide |
| MolecularFormula | C20H17N3OBr |
| Smiles | O=C(c1cc[n+](Cc2ccccc2)cc1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C20H16BrN3O/c21-19-8-6-16(7-9-19)14-22-23-20(25)18-10-12-24(13-11-18)15-17-4-2-1-3-5-17/h1-14H,15H2/p+1 |
| InChIK | GNRXVMZYMGRACJ-UHFFFAOYSA-O |
| TotalMolweight | 395.279 |
| Molweight | 395.279 |
| MonoisotopicMass | 394.055498 |
| CLogP | 0.3598 |
| CLogS | -4.213 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 276.44 |
| Relative PSA | 0.14025 |
| PolarSurfaceArea | 45.34 |
| Druglikeness | 2.277 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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