[1-[(Z)-(benzenesulfonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate
Formula:C24H17N2O4ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-(benzenesulfonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-(benzenesulfonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate |
| MolecularFormula | C24H17N2O4ClS |
| Smiles | O=C(c(cccc1)c1Cl)Oc1c(/C=N\NS(c2ccccc2)(=O)=O)c2ccccc2cc1 |
| InChI | InChI=1S/C24H17ClN2O4S/c25-22-13-7-6-12-20(22)24(28)31-23-15-14-17-8-4-5-11-19(17)21(23)16-26-27-32(29,30)18-9-2-1-3-10-18/h1-16,27H |
| InChIK | SNIJJLNXADRXDU-UHFFFAOYSA-N |
| TotalMolweight | 464.928 |
| Molweight | 464.928 |
| MonoisotopicMass | 464.059755 |
| CLogP | 5.508 |
| CLogS | -5.728 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 335.35 |
| Relative PSA | 0.22242 |
| PolarSurfaceArea | 93.21 |
| Druglikeness | -6.4198 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| 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 | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - [1-[(Z)-(benzenesulfonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate | 2 - [1-[(Z)-(benzenesulfonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate
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