(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
Formula:C21H15N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is not a drug-like molecule.
| MolName | (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone |
| MolecularFormula | C21H15N2OCl |
| Smiles | O=C(/C(/c1ccccc1)=N\N=C\c(cc1)ccc1Cl)c1ccccc1 |
| InChI | InChI=1S/C21H15ClN2O/c22-19-13-11-16(12-14-19)15-23-24-20(17-7-3-1-4-8-17)21(25)18-9-5-2-6-10-18/h1-15H |
| InChIK | KWQRBQAHDAEYIK-UHFFFAOYSA-N |
| TotalMolweight | 346.816 |
| Molweight | 346.816 |
| MonoisotopicMass | 346.08729 |
| CLogP | 5.8831 |
| CLogS | -6.544 |
| H Acceptors | 3 |
| TotalSurfaceArea | 273.68 |
| Relative PSA | 0.13176 |
| PolarSurfaceArea | 41.79 |
| Druglikeness | 2.8181 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone | 2 - (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
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