4-phenyl-3-[(E)-2-phenylethenyl]-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
Formula:C19H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-phenyl-3-[(E)-2-phenylethenyl]-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one is a drug-like molecule.
| MolName | 4-phenyl-3-[(E)-2-phenylethenyl]-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one |
| MolecularFormula | C19H13N3O2 |
| Smiles | O=C(c1noc(/C=C/c2ccccc2)c11)NN=C1c1ccccc1 |
| InChI | InChI=1S/C19H13N3O2/c23-19-18-16(17(20-21-19)14-9-5-2-6-10-14)15(24-22-18)12-11-13-7-3-1-4-8-13/h1-12H,(H,21,23) |
| InChIK | VRYKFIRXOJNVEI-UHFFFAOYSA-N |
| TotalMolweight | 315.331 |
| Molweight | 315.331 |
| MonoisotopicMass | 315.100777 |
| CLogP | 3.5335 |
| CLogS | -5.692 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 246.41 |
| Relative PSA | 0.24792 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 5.6865 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-phenyl-3-[(E)-2-phenylethenyl]-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one | 2 - 4-phenyl-3-[(E)-2-phenylethenyl]-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
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