5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
Formula:C12H10N6O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is a drug-like molecule.
| MolName | 5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide |
| MolecularFormula | C12H10N6O4 |
| Smiles | NC1=CC(C(N/N=C\c2cccc([N+]([O-])=O)c2)=O)=NNC1=O |
| InChI | InChI=1S/C12H10N6O4/c13-9-5-10(15-17-11(9)19)12(20)16-14-6-7-2-1-3-8(4-7)18(21)22/h1-6H,(H2,13,15)(H,16,20)(H,17,19) |
| InChIK | RUPRMZOLPZRUEB-UHFFFAOYSA-N |
| TotalMolweight | 302.249 |
| Molweight | 302.249 |
| MonoisotopicMass | 302.076354 |
| CLogP | -1.1234 |
| CLogS | -3.409 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 222.81 |
| Relative PSA | 0.5283 |
| PolarSurfaceArea | 154.76 |
| Druglikeness | -0.086665 |
| Mutagenic | high |
| 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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