N-[(Z)-pyridin-3-ylmethylideneamino]-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzamide
Formula:C19H16N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-3-ylmethylideneamino]-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-3-ylmethylideneamino]-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzamide |
| MolecularFormula | C19H16N6O |
| Smiles | O=C(c(cc1)ccc1N/N=C\c1cnccc1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C19H16N6O/c26-19(25-23-14-16-4-2-10-21-12-16)17-5-7-18(8-6-17)24-22-13-15-3-1-9-20-11-15/h1-14,24H,(H,25,26) |
| InChIK | KLPNHBBAIQFIAT-UHFFFAOYSA-N |
| TotalMolweight | 344.377 |
| Molweight | 344.377 |
| MonoisotopicMass | 344.138559 |
| CLogP | 4.3811 |
| CLogS | -3.664 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 280.49 |
| Relative PSA | 0.2885 |
| PolarSurfaceArea | 91.63 |
| Druglikeness | 4.4687 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-pyridin-3-ylmethylideneamino]-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzamide | 2 - N-[(Z)-pyridin-3-ylmethylideneamino]-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzamide
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