4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-diphenylpyridazine
Formula:C24H18N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-diphenylpyridazine is a drug-like molecule.
| MolName | 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-diphenylpyridazine |
| MolecularFormula | C24H18N2O2 |
| Smiles | C1Oc(ccc(-c2c(-c3ccccc3)nnc(-c3ccccc3)c2)c2)c2OC1 |
| InChI | InChI=1S/C24H18N2O2/c1-3-7-17(8-4-1)21-16-20(24(26-25-21)18-9-5-2-6-10-18)19-11-12-22-23(15-19)28-14-13-27-22/h1-12,15-16H,13-14H2 |
| InChIK | FYOOHFGVYAZIHE-UHFFFAOYSA-N |
| TotalMolweight | 366.419 |
| Molweight | 366.419 |
| MonoisotopicMass | 366.136828 |
| CLogP | 4.9682 |
| CLogS | -6.194 |
| H Acceptors | 4 |
| TotalSurfaceArea | 284.08 |
| Relative PSA | 0.14763 |
| PolarSurfaceArea | 44.24 |
| Druglikeness | -8.9825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-diphenylpyridazine | 2 - 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-diphenylpyridazine
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