2-[2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]acetate
Formula:C15H12N3O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-[2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]acetate |
| MolecularFormula | C15H12N3O4 |
| Smiles | [O-]C(COc1c(/C=N\NC(c2ccncc2)=O)cccc1)=O |
| InChI | InChI=1S/C15H13N3O4/c19-14(20)10-22-13-4-2-1-3-12(13)9-17-18-15(21)11-5-7-16-8-6-11/h1-9H,10H2,(H,18,21)(H,19,20)/p-1 |
| InChIK | MDFXJBQEWLCGHP-UHFFFAOYSA-M |
| TotalMolweight | 298.277 |
| Molweight | 298.277 |
| MonoisotopicMass | 298.082782 |
| CLogP | -0.8153 |
| CLogS | -2.719 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 234.79 |
| Relative PSA | 0.35904 |
| PolarSurfaceArea | 103.71 |
| Druglikeness | 4.2464 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]acetate
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