(2Z)-2-[(Z)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-1,2-diphenylethanone
Formula:C22H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(Z)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-1,2-diphenylethanone is not a drug-like molecule.
| MolName | (2Z)-2-[(Z)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-1,2-diphenylethanone |
| MolecularFormula | C22H16N2O3 |
| Smiles | O=C(/C(/c1ccccc1)=N\N=C/c(cc1)cc2c1OCO2)c1ccccc1 |
| InChI | InChI=1S/C22H16N2O3/c25-22(18-9-5-2-6-10-18)21(17-7-3-1-4-8-17)24-23-14-16-11-12-19-20(13-16)27-15-26-19/h1-14H,15H2 |
| InChIK | OAZCDDWGLLBVMQ-UHFFFAOYSA-N |
| TotalMolweight | 356.38 |
| Molweight | 356.38 |
| MonoisotopicMass | 356.116093 |
| CLogP | 5.3885 |
| CLogS | -6.519 |
| H Acceptors | 5 |
| TotalSurfaceArea | 278.52 |
| Relative PSA | 0.20128 |
| PolarSurfaceArea | 60.25 |
| Druglikeness | 2.596 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[(Z)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-1,2-diphenylethanone | 2 - (2Z)-2-[(Z)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-1,2-diphenylethanone
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off