3-[(Z)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]phenol
Formula:C12H10N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]phenol is a drug-like molecule.
| MolName | 3-[(Z)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]phenol |
| MolecularFormula | C12H10N6O |
| Smiles | Oc1cc(/C=N\Nc(cc2)nn3c2nnc3)ccc1 |
| InChI | InChI=1S/C12H10N6O/c19-10-3-1-2-9(6-10)7-13-15-11-4-5-12-16-14-8-18(12)17-11/h1-8,19H,(H,15,17) |
| InChIK | KGNRHLNKAXHTHM-UHFFFAOYSA-N |
| TotalMolweight | 254.252 |
| Molweight | 254.252 |
| MonoisotopicMass | 254.091609 |
| CLogP | 2.359 |
| CLogS | -3.335 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 197.12 |
| Relative PSA | 0.39027 |
| PolarSurfaceArea | 87.7 |
| Druglikeness | 4.0814 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-[(Z)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]phenol | 2 - 3-[(Z)-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]phenol
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