N-[(Z)-(3-nitrophenyl)methylideneamino]tetrazolo[1,5-b]pyridazin-6-amine
Formula:C11H8N8O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]tetrazolo[1,5-b]pyridazin-6-amine is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]tetrazolo[1,5-b]pyridazin-6-amine |
| MolecularFormula | C11H8N8O2 |
| Smiles | [O-][N+](c1cc(/C=N\Nc2nn3nnnc3cc2)ccc1)=O |
| InChI | InChI=1S/C11H8N8O2/c20-19(21)9-3-1-2-8(6-9)7-12-13-10-4-5-11-14-16-17-18(11)15-10/h1-7H,(H,13,15) |
| InChIK | CPCMRJZCITTWNR-UHFFFAOYSA-N |
| TotalMolweight | 284.239 |
| Molweight | 284.239 |
| MonoisotopicMass | 284.077022 |
| CLogP | 2.2894 |
| CLogS | -5.294 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 213.2 |
| Relative PSA | 0.49353 |
| PolarSurfaceArea | 126.18 |
| Druglikeness | -3.4868 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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