4,5-diphenyl-1,2-dihydropyrazolo[3,4-c]pyridazin-3-one
Formula:C17H12N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4,5-diphenyl-1,2-dihydropyrazolo[3,4-c]pyridazin-3-one is a drug-like molecule.
| MolName | 4,5-diphenyl-1,2-dihydropyrazolo[3,4-c]pyridazin-3-one |
| MolecularFormula | C17H12N4O |
| Smiles | O=C1NNc2nnc(-c3ccccc3)c(-c3ccccc3)c12 |
| InChI | InChI=1S/C17H12N4O/c22-17-14-13(11-7-3-1-4-8-11)15(12-9-5-2-6-10-12)18-19-16(14)20-21-17/h1-10H,(H2,19,20,21,22) |
| InChIK | UIHDHURJKAPXSN-UHFFFAOYSA-N |
| TotalMolweight | 288.309 |
| Molweight | 288.309 |
| MonoisotopicMass | 288.101111 |
| CLogP | 2.2397 |
| CLogS | -4.795 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 217.47 |
| Relative PSA | 0.26624 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | 1.7585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4,5-diphenyl-1,2-dihydropyrazolo[3,4-c]pyridazin-3-one | 2 - 4,5-diphenyl-1,2-dihydropyrazolo[3,4-c]pyridazin-3-one
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