2-benzyl-6-[(E)-2-phenylethenyl]pyridazin-3-one
Formula:C19H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-benzyl-6-[(E)-2-phenylethenyl]pyridazin-3-one is a drug-like molecule.
| MolName | 2-benzyl-6-[(E)-2-phenylethenyl]pyridazin-3-one |
| MolecularFormula | C19H16N2O |
| Smiles | O=C1N(Cc2ccccc2)N=C(/C=C/c2ccccc2)C=C1 |
| InChI | InChI=1S/C19H16N2O/c22-19-14-13-18(12-11-16-7-3-1-4-8-16)20-21(19)15-17-9-5-2-6-10-17/h1-14H,15H2 |
| InChIK | YRMGPJLSFACRFO-UHFFFAOYSA-N |
| TotalMolweight | 288.349 |
| Molweight | 288.349 |
| MonoisotopicMass | 288.126263 |
| CLogP | 3.124 |
| CLogS | -3.733 |
| H Acceptors | 3 |
| TotalSurfaceArea | 237.3 |
| Relative PSA | 0.11842 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 2.66 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - 2-benzyl-6-[(E)-2-phenylethenyl]pyridazin-3-one | 2 - 2-benzyl-6-[(E)-2-phenylethenyl]pyridazin-3-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off