[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
Formula:C20H15N2O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate |
| MolecularFormula | C20H15N2O4ClS |
| Smiles | O=C(c1cccc(Cl)c1)Oc1ccc(/C=N\NS(c2ccccc2)(=O)=O)cc1 |
| InChI | InChI=1S/C20H15ClN2O4S/c21-17-6-4-5-16(13-17)20(24)27-18-11-9-15(10-12-18)14-22-23-28(25,26)19-7-2-1-3-8-19/h1-14,23H |
| InChIK | JPVXGPUIIPSRTH-UHFFFAOYSA-N |
| TotalMolweight | 414.868 |
| Molweight | 414.868 |
| MonoisotopicMass | 414.044105 |
| CLogP | 4.3136 |
| CLogS | -4.122 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 300.75 |
| Relative PSA | 0.24801 |
| PolarSurfaceArea | 93.21 |
| Druglikeness | -5.4767 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate | 2 - [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
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