[4-[(Z)-(benzhydrylidenehydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
Formula:C26H19N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(benzhydrylidenehydrazinylidene)methyl]phenyl] pyridine-3-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-(benzhydrylidenehydrazinylidene)methyl]phenyl] pyridine-3-carboxylate |
| MolecularFormula | C26H19N3O2 |
| Smiles | O=C(c1cnccc1)Oc1ccc(/C=N\N=C(c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C26H19N3O2/c30-26(23-12-7-17-27-19-23)31-24-15-13-20(14-16-24)18-28-29-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-19H |
| InChIK | JIIXYWJLTGORHH-UHFFFAOYSA-N |
| TotalMolweight | 405.456 |
| Molweight | 405.456 |
| MonoisotopicMass | 405.147727 |
| CLogP | 6.4119 |
| CLogS | -6.583 |
| H Acceptors | 5 |
| TotalSurfaceArea | 326.78 |
| Relative PSA | 0.17452 |
| PolarSurfaceArea | 63.91 |
| Druglikeness | 1.3897 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [4-[(Z)-(benzhydrylidenehydrazinylidene)methyl]phenyl] pyridine-3-carboxylate | 2 - [4-[(Z)-(benzhydrylidenehydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
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