N-[(Z)-benzylideneamino]-6,7-diphenyltetrazolo[1,5-b]pyridazine-8-carboxamide
Formula:C24H17N7O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-6,7-diphenyltetrazolo[1,5-b]pyridazine-8-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-6,7-diphenyltetrazolo[1,5-b]pyridazine-8-carboxamide |
| MolecularFormula | C24H17N7O |
| Smiles | O=C(c1c(-c2ccccc2)c(-c2ccccc2)nn2nnnc12)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C24H17N7O/c32-24(27-25-16-17-10-4-1-5-11-17)21-20(18-12-6-2-7-13-18)22(19-14-8-3-9-15-19)28-31-23(21)26-29-30-31/h1-16H,(H,27,32) |
| InChIK | MMQWHIWCJWUGCG-UHFFFAOYSA-N |
| TotalMolweight | 419.447 |
| Molweight | 419.447 |
| MonoisotopicMass | 419.149458 |
| CLogP | 4.5332 |
| CLogS | -8.745 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 326.8 |
| Relative PSA | 0.26879 |
| PolarSurfaceArea | 97.43 |
| Druglikeness | 4.5179 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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