5-chloro-4-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
Formula:C11H8N5O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-chloro-4-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is a drug-like molecule.
| MolName | 5-chloro-4-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one |
| MolecularFormula | C11H8N5O3Cl |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C=NNC2=O)=C2Cl)cc1)=O |
| InChI | InChI=1S/C11H8ClN5O3/c12-10-9(6-14-16-11(10)18)15-13-5-7-1-3-8(4-2-7)17(19)20/h1-6H,(H2,15,16,18) |
| InChIK | UKRJXADYTSRUKN-UHFFFAOYSA-N |
| TotalMolweight | 293.67 |
| Molweight | 293.67 |
| MonoisotopicMass | 293.031567 |
| CLogP | 0.7112 |
| CLogS | -4.335 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 211.96 |
| Relative PSA | 0.42178 |
| PolarSurfaceArea | 111.67 |
| Druglikeness | -1.3921 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde; 2-halo-enone |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 5-chloro-4-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one | 2 - 5-chloro-4-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
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