2-[2-[(E)-[(6-oxo-1H-pyridazine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C14H12N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(E)-[(6-oxo-1H-pyridazine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(E)-[(6-oxo-1H-pyridazine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C14H12N4O5 |
| Smiles | OC(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) |
| InChIK | UBNXJBPVVSLNHM-UHFFFAOYSA-N |
| TotalMolweight | 316.272 |
| Molweight | 316.272 |
| MonoisotopicMass | 316.080771 |
| CLogP | -0.2442 |
| CLogS | -2.735 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 240.27 |
| Relative PSA | 0.45016 |
| PolarSurfaceArea | 129.45 |
| Druglikeness | 4.3474 |
| 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-[(E)-[(6-oxo-1H-pyridazine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(E)-[(6-oxo-1H-pyridazine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
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