[2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-4-bromophenyl] 2-chlorobenzoate
Formula:C20H14N2O4BrClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-4-bromophenyl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-4-bromophenyl] 2-chlorobenzoate |
| MolecularFormula | C20H14N2O4BrClS |
| Smiles | O=C(c(cccc1)c1Cl)Oc(cc1)c(/C=N\NS(c2ccccc2)(=O)=O)cc1Br |
| InChI | InChI=1S/C20H14BrClN2O4S/c21-15-10-11-19(28-20(25)17-8-4-5-9-18(17)22)14(12-15)13-23-24-29(26,27)16-6-2-1-3-7-16/h1-13,24H |
| InChIK | MZPVTAWWCFLNPM-UHFFFAOYSA-N |
| TotalMolweight | 493.764 |
| Molweight | 493.764 |
| MonoisotopicMass | 491.954616 |
| CLogP | 5.0388 |
| CLogS | -4.956 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 319.38 |
| Relative PSA | 0.23355 |
| PolarSurfaceArea | 93.21 |
| Druglikeness | -5.9751 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-4-bromophenyl] 2-chlorobenzoate | 2 - [2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-4-bromophenyl] 2-chlorobenzoate
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