2-[2-[(Z)-[(6-oxo-1H-pyridazine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
Formula:C14H11N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(6-oxo-1H-pyridazine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(6-oxo-1H-pyridazine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C14H11N4O5 |
| Smiles | [O-]C(COc1c(/C=N\NC(C(C=C2)=NNC2=O)=O)cccc1)=O |
| InChI | InChI=1S/C14H12N4O5/c19-12-6-5-10(16-17-12)14(22)18-15-7-9-3-1-2-4-11(9)23-8-13(20)21/h1-7H,8H2,(H,17,19)(H,18,22)(H,20,21)/p-1 |
| InChIK | UBNXJBPVVSLNHM-UHFFFAOYSA-M |
| TotalMolweight | 315.264 |
| Molweight | 315.264 |
| MonoisotopicMass | 315.072946 |
| CLogP | -2.3202 |
| CLogS | -2.735 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 241.45 |
| Relative PSA | 0.45285 |
| PolarSurfaceArea | 132.28 |
| Druglikeness | 4.3687 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[(6-oxo-1H-pyridazine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[(6-oxo-1H-pyridazine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
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