(2E)-1,2-diphenyl-2-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]ethanone
Formula:C20H15N3O
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(2E)-1,2-diphenyl-2-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]ethanone is a drug-like molecule.
| MolName | (2E)-1,2-diphenyl-2-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]ethanone |
| MolecularFormula | C20H15N3O |
| Smiles | O=C(/C(/c1ccccc1)=N/N=C\c1ncccc1)c1ccccc1 |
| InChI | InChI=1S/C20H15N3O/c24-20(17-11-5-2-6-12-17)19(16-9-3-1-4-10-16)23-22-15-18-13-7-8-14-21-18/h1-15H |
| InChIK | AVHRFSVMNLSRJX-UHFFFAOYSA-N |
| TotalMolweight | 313.359 |
| Molweight | 313.359 |
| MonoisotopicMass | 313.121512 |
| CLogP | 4.3302 |
| CLogS | -5.037 |
| H Acceptors | 4 |
| TotalSurfaceArea | 257.02 |
| Relative PSA | 0.18298 |
| PolarSurfaceArea | 54.68 |
| Druglikeness | 2.7972 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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