[2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
Formula:C19H14N4O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
[2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate is a drug-like molecule.
| MolName | [2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate |
| MolecularFormula | C19H14N4O3 |
| Smiles | O=C(c1ccncc1)N/N=C\c(cccc1)c1OC(c1cnccc1)=O |
| InChI | InChI=1S/C19H14N4O3/c24-18(14-7-10-20-11-8-14)23-22-13-15-4-1-2-6-17(15)26-19(25)16-5-3-9-21-12-16/h1-13H,(H,23,24) |
| InChIK | AIYXZKAEVRPFGK-UHFFFAOYSA-N |
| TotalMolweight | 346.345 |
| Molweight | 346.345 |
| MonoisotopicMass | 346.106591 |
| CLogP | 2.6303 |
| CLogS | -3.601 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 272.02 |
| Relative PSA | 0.29774 |
| PolarSurfaceArea | 93.54 |
| Druglikeness | 3.9976 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| 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 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate | 2 - [2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
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