1,4-diphenoxyphthalazine
Formula:C20H14N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
1,4-diphenoxyphthalazine is a drug-like molecule.
| MolName | 1,4-diphenoxyphthalazine |
| MolecularFormula | C20H14N2O2 |
| Smiles | c(cc1)ccc1Oc(c1ccccc11)nnc1Oc1ccccc1 |
| InChI | InChI=1S/C20H14N2O2/c1-3-9-15(10-4-1)23-19-17-13-7-8-14-18(17)20(22-21-19)24-16-11-5-2-6-12-16/h1-14H |
| InChIK | CKTOOUPVCQHBBF-UHFFFAOYSA-N |
| TotalMolweight | 314.343 |
| Molweight | 314.343 |
| MonoisotopicMass | 314.105528 |
| CLogP | 4.5182 |
| CLogS | -7.62 |
| H Acceptors | 4 |
| TotalSurfaceArea | 244.9 |
| Relative PSA | 0.17125 |
| PolarSurfaceArea | 44.24 |
| Druglikeness | -1.946 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 14 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1,4-diphenoxyphthalazine | 2 - 1,4-diphenoxyphthalazine
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