1-N,4-N-bis[(Z)-pyridin-3-ylmethylideneamino]benzene-1,4-dicarboxamide
Formula:C20H16N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-N,4-N-bis[(Z)-pyridin-3-ylmethylideneamino]benzene-1,4-dicarboxamide is a drug-like molecule.
| MolName | 1-N,4-N-bis[(Z)-pyridin-3-ylmethylideneamino]benzene-1,4-dicarboxamide |
| MolecularFormula | C20H16N6O2 |
| Smiles | O=C(c(cc1)ccc1C(N/N=C\c1cnccc1)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C20H16N6O2/c27-19(25-23-13-15-3-1-9-21-11-15)17-5-7-18(8-6-17)20(28)26-24-14-16-4-2-10-22-12-16/h1-14H,(H,25,27)(H,26,28) |
| InChIK | LKMRBERFFPBOLM-UHFFFAOYSA-N |
| TotalMolweight | 372.387 |
| Molweight | 372.387 |
| MonoisotopicMass | 372.133474 |
| CLogP | 2.7418 |
| CLogS | -4.236 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 298.24 |
| Relative PSA | 0.31505 |
| PolarSurfaceArea | 108.7 |
| Druglikeness | 4.4687 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 15 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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