N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
Formula:C12H8N5O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide |
| MolecularFormula | C12H8N5O4Cl |
| Smiles | [O-][N+](c(cc1)cc(/C=N/NC(C(C=C2)=NNC2=O)=O)c1Cl)=O |
| InChI | InChI=1S/C12H8ClN5O4/c13-9-2-1-8(18(21)22)5-7(9)6-14-17-12(20)10-3-4-11(19)16-15-10/h1-6H,(H,16,19)(H,17,20) |
| InChIK | KUNIKTUJMLFXBW-UHFFFAOYSA-N |
| TotalMolweight | 321.68 |
| Molweight | 321.68 |
| MonoisotopicMass | 321.026482 |
| CLogP | 0.3802 |
| CLogS | -4.138 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 231.5 |
| Relative PSA | 0.44251 |
| PolarSurfaceArea | 128.74 |
| Druglikeness | -0.63514 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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