(2E)-2-(benzenesulfonyl)-2-[(2,4-dichlorophenyl)hydrazinylidene]-1-naphthalen-1-ylethanone
Formula:C24H16N2O3Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2E)-2-(benzenesulfonyl)-2-[(2,4-dichlorophenyl)hydrazinylidene]-1-naphthalen-1-ylethanone is not a drug-like molecule.
| MolName | (2E)-2-(benzenesulfonyl)-2-[(2,4-dichlorophenyl)hydrazinylidene]-1-naphthalen-1-ylethanone |
| MolecularFormula | C24H16N2O3Cl2S |
| Smiles | O=C(/C(/S(c1ccccc1)(=O)=O)=N\Nc(ccc(Cl)c1)c1Cl)c1cccc2ccccc12 |
| InChI | InChI=1S/C24H16Cl2N2O3S/c25-17-13-14-22(21(26)15-17)27-28-24(32(30,31)18-9-2-1-3-10-18)23(29)20-12-6-8-16-7-4-5-11-19(16)20/h1-15,27H |
| InChIK | NXRJLHUUGAPQQT-UHFFFAOYSA-N |
| TotalMolweight | 483.374 |
| Molweight | 483.374 |
| MonoisotopicMass | 482.025867 |
| CLogP | 6.2429 |
| CLogS | -7.018 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 338.98 |
| Relative PSA | 0.19054 |
| PolarSurfaceArea | 83.98 |
| Druglikeness | -5.1997 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - (2E)-2-(benzenesulfonyl)-2-[(2,4-dichlorophenyl)hydrazinylidene]-1-naphthalen-1-ylethanone | 2 - (2E)-2-(benzenesulfonyl)-2-[(2,4-dichlorophenyl)hydrazinylidene]-1-naphthalen-1-ylethanone
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